data_2muo_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 2muo _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 ' 100' ' ' MET . . . . . . . . . . . . . 60.2 tpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 125.38 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.82 135.79 53.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.8 m -134.42 141.65 46.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -70.36 81.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.5 p -114.08 131.02 56.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.755 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.93 110.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -129.03 147.66 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -88.63 121.14 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.0 m -68.55 178.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -87.52 160.94 46.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.78 -30.74 21.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -27.36 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.48 175.87 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.3 p -147.31 -36.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -125.31 175.69 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.81 162.0 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.1 154.52 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 m -148.11 138.73 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.773 0.321 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -116.26 127.4 54.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 m -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.3 m -68.57 167.2 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.8 t -149.96 167.57 26.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -116.95 10.15 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.44 108.17 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.31 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.5 mt -123.56 98.28 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.85 151.56 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.8 p -151.3 155.59 39.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.74 163.65 38.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -117.66 29.81 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.04 138.09 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.64 124.27 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.6 mt 53.12 39.67 29.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.1 p -45.83 -29.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.77 124.15 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.42 130.67 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.0 m -129.85 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -69.73 84.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -117.08 126.95 53.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.05 106.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.8 m -120.51 146.07 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.74 123.89 33.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 75.7 m -74.14 175.08 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.7 mttt -85.55 161.55 50.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.713 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.81 -28.5 24.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.67 -25.48 59.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -73.14 178.65 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 45.5 p -151.08 -38.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -122.42 178.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.07 163.03 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -131.4 156.65 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.18 152.11 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 130.38 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.4 p -146.4 153.25 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.18 164.07 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 41.1 t -148.77 171.37 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -118.68 12.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.25 95.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.63 116.56 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mt -100.5 108.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.37 153.1 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.29 158.23 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -157.52 165.81 34.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -118.69 31.22 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.4 mpp_? -134.39 138.41 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.41 124.0 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 55.53 37.83 29.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -50.2 -25.19 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 124.41 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -121.42 136.62 54.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.5 m -133.79 148.19 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -73.06 76.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -106.7 128.8 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.775 0.321 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.37 120.66 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.2 m -135.41 147.49 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 123.28 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -72.86 178.51 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.509 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.6 mtmt -86.71 161.44 47.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.1 Cg_endo -69.7 -29.29 24.4 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.04 -27.82 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.17 172.51 11.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.0 p -147.31 -33.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -122.52 171.22 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -109.39 159.92 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.7 ttt -131.31 148.54 52.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.3 m -143.48 122.28 12.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -104.89 132.36 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 77.3 p -150.05 153.63 36.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.0 m -68.58 165.96 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.17 164.72 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -114.99 9.28 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -168.67 92.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.42 106.04 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 52.4 mt -98.35 96.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -91.37 148.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.1 p -150.55 155.78 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.0 p -149.73 169.27 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.87 32.73 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -137.68 138.56 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.68 125.36 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.1 mt 51.96 38.68 24.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.5 p -48.85 -26.16 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 124.18 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -119.97 128.51 53.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.5 m -129.31 147.65 51.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.12 76.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 p -99.72 119.32 37.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.34 119.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -131.33 146.46 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 122.72 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -78.01 177.36 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.1 mttt -84.66 163.63 45.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.34 -28.6 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.04 146.43 27.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -129.44 -15.85 3.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.46 162.94 26.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 56.9 m -104.46 167.32 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 144.24 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -134.38 160.96 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.744 0.306 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -151.1 130.99 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.5 p -146.29 158.3 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.8 m -69.49 161.19 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -150.3 157.24 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 p -106.72 15.81 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -176.05 99.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -67.13 102.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.805 0.336 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.4 mm -90.96 134.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -126.38 112.45 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -116.94 158.66 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -155.6 172.24 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -123.33 33.52 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -136.25 137.89 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.48 121.16 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.8 mt 60.51 36.46 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -52.23 -24.17 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.2 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 127.97 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 129.65 29.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 169.75 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.54 84.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -122.09 132.23 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.12 108.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.3 m -125.88 143.21 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -92.47 125.49 37.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -73.44 177.43 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.3 OUTLIER -86.85 161.83 46.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.2 Cg_endo -69.72 -29.41 24.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -26.09 60.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.78 -178.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.0 p -151.14 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -127.71 177.75 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 72.0 m -111.66 161.46 16.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.6 ttp -130.62 155.65 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.807 0.337 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -116.69 132.17 56.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.0 m -148.41 149.69 32.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.46 165.09 17.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.1 t -149.18 164.39 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.9 p -112.11 8.93 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -170.43 95.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.32 108.74 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.2 mp -116.07 102.33 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -95.37 154.36 17.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.3 p -151.75 158.46 43.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.4 p -154.94 166.41 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.01 29.77 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -134.35 135.9 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.88 121.41 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.74 34.15 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.0 p -49.51 -24.54 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 125.12 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -114.2 134.79 54.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.6 m -133.95 140.55 46.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -71.44 77.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.9 p -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.64 118.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 144.98 50.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.27 123.37 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 71.3 m -71.6 175.88 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.5 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -85.37 161.17 52.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.29 24.13 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.01 -25.43 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.23 -179.81 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.7 p -150.48 -38.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -125.87 178.9 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.7 m -113.8 163.09 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.8 ttp -133.23 155.98 48.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.4 m -150.06 127.94 11.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -98.75 125.29 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 59.7 p -145.45 155.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -68.52 166.85 16.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -148.91 170.65 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 p -119.17 9.85 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.27 92.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.16 112.02 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.05 93.23 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -89.69 150.4 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.59 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -151.81 167.58 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -120.2 27.15 8.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -129.79 139.03 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.67 121.87 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.2 mt 57.95 37.76 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.6 p -48.76 -27.0 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 124.25 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -117.46 128.3 54.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.9 m -131.62 146.22 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -70.07 87.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -118.63 124.13 46.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.728 0.299 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 47.9 mt -66.99 105.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 m -120.58 145.01 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.73 124.35 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 63.0 m -80.08 169.63 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.0 mtmm -69.55 163.32 60.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.7 -27.39 26.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -79.02 -28.32 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.57 142.81 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 p -129.63 -11.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.27 161.73 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.2 m -105.18 165.48 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 154.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.2 m -146.99 153.09 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.43 122.71 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.1 p -140.13 156.22 46.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.93 163.62 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -149.35 162.05 40.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.8 p -111.77 14.73 21.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -172.62 94.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.91 104.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -107.26 108.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -101.39 148.76 24.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.6 p -151.34 159.35 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -155.91 170.66 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -122.04 32.78 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.64 137.83 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.0 123.58 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.8 mt 57.27 36.97 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -49.58 -24.58 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 123.73 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mppt? -115.34 130.01 56.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -129.43 143.57 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.83 76.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.4 p -106.73 128.92 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.1 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.78 0.324 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.26 113.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 55.1 m -128.93 145.4 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.15 122.19 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 82.2 m -71.38 176.69 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -85.73 161.09 51.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -29.79 23.33 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.5 -25.36 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -71.31 179.36 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.1 p -150.92 -38.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -124.06 176.81 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.9 m -112.53 161.57 16.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -132.3 154.31 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.4 m -145.59 127.53 15.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.436 HH21 ' ND2' ' A' ' 178' ' ' ASN . 26.0 ttt-85 -102.35 125.96 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.0 p -143.79 154.23 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 25.9 m -68.39 166.52 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.3 t -149.97 169.57 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.0 p -118.5 12.47 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -171.91 93.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.48 106.03 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.834 0.35 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -97.26 95.44 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -89.88 151.6 21.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -151.1 156.53 41.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.44 167.37 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.28 26.56 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -130.21 138.1 50.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.09 120.04 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.2 mt 60.53 38.01 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.8 p -47.62 -28.1 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.436 ' ND2' HH21 ' A' ' 149' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 125.47 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -123.56 134.19 53.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.6 m -133.38 148.0 51.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.49 80.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -108.64 126.02 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.4 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.777 0.323 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.18 117.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.0 m -130.48 146.38 52.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -87.92 122.62 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.6 m -73.74 176.62 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.548 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -85.01 163.75 44.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.82 -27.67 25.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -76.61 -27.84 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -81.53 145.41 30.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.2 p -126.58 -19.76 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -127.11 167.04 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 75.7 m -107.9 165.12 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.9 ttp -134.65 152.83 52.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 85.5 m -144.82 127.33 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.81 123.61 47.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.5 m -145.29 156.77 44.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.2 m -69.19 165.94 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.5 t -150.38 149.96 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -98.36 14.73 27.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 p -174.72 98.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.5 t -67.15 101.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.63 93.59 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -95.07 152.37 18.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.55 157.84 43.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -152.86 172.45 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -123.74 33.48 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -136.27 138.07 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.03 122.22 13.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.6 mt 58.56 37.84 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.2 p -54.18 -20.36 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 122.94 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 135.17 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.58 166.94 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -77.82 76.3 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -102.97 122.71 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.746 0.307 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.12 114.51 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.4 m -132.48 144.63 50.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.47 125.01 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.6 m -73.17 -179.08 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.541 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 24.3 mmtt -88.96 162.89 36.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.83 -27.92 25.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.48 -25.59 54.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -86.98 147.57 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.1 p -126.23 -20.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -126.54 167.12 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.1 m -108.55 166.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -139.1 154.6 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -147.99 138.43 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -107.97 116.46 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.6 p -141.49 156.58 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.5 m -68.38 164.06 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.9 t -150.43 149.34 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.1 p -95.95 11.36 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -169.78 96.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -66.67 123.15 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.8 130.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -127.2 116.85 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -122.59 155.3 36.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.99 172.37 16.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.31 31.51 5.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -135.37 137.75 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.46 121.38 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.2 mt 64.83 33.41 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.41 -24.74 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 124.02 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 134.03 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -134.13 149.64 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.72 96.81 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 p -123.12 125.21 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.94 115.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.3 m -132.19 144.69 50.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 123.26 32.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -70.77 174.59 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -87.53 161.18 46.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.2 Cg_endo -69.8 -30.1 22.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.22 -22.47 57.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.16 -179.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.5 p -150.59 -38.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.06 179.65 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.8 m -111.3 156.64 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.79 147.13 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 51.7 m -149.09 94.14 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -125.63 116.97 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 p -149.84 162.45 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -69.01 168.46 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.7 t -145.34 169.14 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.3 p -118.09 10.7 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -171.99 93.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.6 t -68.17 100.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.084 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.87 92.11 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.13 148.83 21.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 p -150.03 157.67 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -150.72 170.79 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.82 31.99 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.48 138.62 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.11 122.04 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 mt 56.92 37.22 28.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.6 p -52.01 -24.52 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.95 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -121.45 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -132.3 146.34 51.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.94 79.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -103.38 121.25 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 23.6 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.41 120.55 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.5 m -134.76 147.97 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 122.41 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 74.4 m -68.97 176.38 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 22.5 mttt -86.39 161.34 48.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.72 -28.83 24.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -75.14 -27.61 59.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.84 179.69 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 67.6 p -151.22 -38.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -123.99 179.1 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.5 m -112.16 163.5 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.5 ttt -133.22 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.1 m -140.38 135.94 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -109.56 111.77 23.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.2 p -137.37 158.76 43.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 26.9 m -68.14 166.26 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.7 t -148.03 168.57 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.5 p -118.48 7.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.99 90.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.03 109.57 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.2 107.71 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -111.13 107.97 17.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.3 p -114.9 154.93 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.0 p -150.08 171.19 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -121.93 31.56 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -135.41 138.64 43.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.24 124.31 19.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 54.92 37.49 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.2 p -50.65 -25.0 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 124.79 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -133.47 131.32 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.24 167.69 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -76.72 105.64 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -136.72 123.91 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.728 0.299 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.81 121.42 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 m -134.83 143.88 47.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.89 124.65 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.7 m -71.84 178.79 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.3 mmtt -88.26 161.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.679 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.72 -29.18 24.49 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.07 -25.34 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.21 -178.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 57.8 p -150.76 -39.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -127.47 179.6 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.3 m -110.87 165.99 11.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.7 ttp -136.75 152.15 50.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -140.9 152.81 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.735 0.302 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -124.52 122.39 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.3 p -141.29 156.15 45.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 55.7 m -68.35 168.19 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.6 t -149.61 167.79 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.5 p -117.04 8.13 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.32 92.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.4 t -68.37 112.56 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 mp -90.88 135.43 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.39 115.25 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -119.16 155.32 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -150.14 165.67 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -119.35 31.38 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -136.4 137.55 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.43 120.78 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.13 35.34 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.81 -24.12 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.9 125.02 25.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.24 128.1 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.2 m -133.73 165.78 24.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -76.12 113.42 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 p -144.43 126.87 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.98 132.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.3 m -139.08 144.45 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 123.23 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 73.9 m -73.33 176.19 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.9 mttt -86.72 161.18 48.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.49 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.73 -30.01 23.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.76 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -69.28 -177.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.3 p -151.29 -38.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.5 178.85 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.1 m -112.42 163.28 14.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttm -133.12 148.99 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 m -137.09 158.88 43.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -129.9 125.09 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -145.79 154.27 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.7 m -68.26 166.51 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.39 168.98 22.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.1 p -117.34 8.5 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.11 93.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.73 114.73 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.03 124.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.42 117.39 28.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.7 p -120.5 152.19 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -149.86 161.55 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -116.19 31.2 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -135.85 135.71 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.4 121.89 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.16 36.72 21.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.4 p -47.49 -27.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 123.38 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.23 139.77 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.45 166.94 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.34 72.91 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.79 0.328 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.92 114.72 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.8 m -134.89 144.5 47.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -89.8 125.62 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.9 m -72.65 175.9 5.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.484 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.2 mtmm -82.5 161.29 59.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.81 -28.86 24.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.66 -23.08 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.94 -179.6 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.7 p -150.1 -41.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -128.61 -177.0 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 m -116.54 166.96 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -132.77 147.25 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 87.7 m -138.32 130.37 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -113.7 123.01 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.4 171.1 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.0 165.86 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.4 t -150.21 140.45 22.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -93.88 16.02 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -171.48 94.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.2 t -66.99 111.96 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 124.12 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -135.59 107.48 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.65 161.06 14.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.0 p -156.83 166.94 31.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -120.85 28.48 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 137.54 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.43 122.18 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 63.55 33.81 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.17 -25.65 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 126.44 29.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -138.17 136.78 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 m -133.35 173.71 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -84.4 74.49 10.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -106.49 129.45 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 24.3 mt -65.58 107.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.2 m -126.39 144.43 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.77 124.02 34.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 81.3 m -68.92 174.95 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 3.6 mttt -84.6 161.42 53.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.75 -29.23 24.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.95 -27.76 61.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.32 -179.2 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.3 p -151.03 -39.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -121.22 -177.3 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.14 162.39 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.9 ttm -133.27 155.73 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 m -150.13 139.12 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.764 0.316 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.25 126.18 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.3 p -147.26 150.8 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.42 165.33 19.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.9 t -150.21 166.54 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.6 p -109.64 15.07 23.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -172.97 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.59 113.27 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.89 104.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -98.72 154.72 17.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.7 p -150.52 167.53 26.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 6.2 p -166.67 172.1 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -123.29 29.56 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.11 139.41 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 124.34 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 3.3 mt 59.48 34.31 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.7 p -51.29 -25.02 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 126.26 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -122.75 125.86 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -129.51 146.56 51.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -70.22 88.5 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 p -119.16 123.99 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.771 0.32 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.02 115.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -121.79 144.6 48.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.44 122.45 31.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.0 m -80.23 179.68 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.561 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.5 OUTLIER -87.36 163.82 37.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.6 Cg_endo -69.71 -27.86 26.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -84.47 145.1 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 p -127.43 -16.07 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -128.55 164.47 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 35.2 m -109.04 165.32 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.17 145.67 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.64 147.26 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -118.84 132.92 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.64 167.98 24.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.67 161.1 28.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.1 t -150.46 163.42 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.6 p -116.82 14.27 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -171.82 94.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.3 105.36 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.05 128.27 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -116.44 112.46 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.7 p -120.04 157.47 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.51 173.46 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -123.96 31.56 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -137.69 137.87 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.85 123.34 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.53 37.76 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 -23.84 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 123.8 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -120.68 131.18 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.2 m -126.19 152.8 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -75.43 70.32 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -98.6 128.4 44.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.75 0.309 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.58 114.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.5 m -132.75 145.25 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.88 124.13 33.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 94.2 m -75.32 -178.51 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.519 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -87.72 162.01 43.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.75 -28.29 25.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -74.77 -21.21 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.74 179.59 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 69.8 p -150.34 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.59 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.0 m -112.72 164.06 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.9 ttp -132.92 153.29 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 49.3 m -145.49 132.98 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.25 127.59 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.2 169.94 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.7 m -75.56 160.06 30.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.1 t -144.6 145.41 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 93.9 p -101.86 12.87 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -171.73 93.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.66 101.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.1 mt -104.1 105.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.36 155.79 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -150.55 157.47 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -151.04 166.11 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -118.78 30.1 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -133.17 138.5 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 121.14 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.5 mt 60.75 36.87 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.3 p -51.12 -24.8 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 126.12 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 137.53 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.82 76.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.06 119.98 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.4 m -132.34 145.59 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -88.92 124.25 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 95.8 m -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.536 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.6 mttt -85.21 163.64 44.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.73 -28.7 25.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -72.23 -27.72 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.12 144.91 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -128.87 -11.42 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.73 164.69 26.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.1 m -109.12 166.46 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.6 ttp -135.48 151.75 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 79.5 m -139.61 110.94 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.7 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.75 133.99 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.68 171.09 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.77 161.84 20.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.5 t -150.39 157.12 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -110.34 17.19 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -174.23 95.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.72 100.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.321 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.7 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.73 154.22 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.6 p -150.97 159.55 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.56 173.96 15.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.11 33.39 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 138.91 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.9 123.73 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.25 36.13 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.5 p -50.92 -25.23 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 123.81 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -119.95 131.74 55.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -129.82 150.77 50.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.64 70.19 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -98.12 124.69 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.5 mt -67.59 117.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.1 m -132.64 147.96 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -88.79 122.2 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 98.4 m -73.35 177.96 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.509 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.5 mttm -85.53 161.66 50.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.83 -28.88 24.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.56 -27.04 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.08 173.74 10.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -149.36 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -120.01 172.33 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.3 m -111.57 159.74 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttt -132.21 142.15 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.4 m -138.74 130.75 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.798 0.332 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -106.15 130.35 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.0 m -147.88 155.65 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 14.8 m -68.51 163.22 23.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.8 t -149.91 170.26 19.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.78 11.09 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -169.74 92.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.94 110.71 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.58 90.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.77 111.83 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 8.7 p -122.85 153.74 39.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.65 174.19 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.2 30.71 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -136.36 138.77 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.8 125.19 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 mt 51.82 38.66 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.1 p -49.37 -26.02 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.2 tpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 125.38 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.82 135.79 53.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.8 m -134.42 141.65 46.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -70.36 81.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.5 p -114.08 131.02 56.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.7 p -82.08 -175.62 5.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -69.63 -74.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -129.29 161.62 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 92.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.4 mmt -125.95 -176.03 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.2 p -94.4 22.21 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.7 p -54.68 157.59 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.61 -19.42 55.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.21 108.0 5.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -113.45 32.09 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -124.57 88.8 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.1 m -112.9 144.2 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.93 110.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -129.03 147.66 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -88.63 121.14 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.0 m -68.55 178.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -87.52 160.94 46.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.78 -30.74 21.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -27.36 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.48 175.87 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.3 p -147.31 -36.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -125.31 175.69 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.81 162.0 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.1 154.52 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 m -148.11 138.73 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 m -117.75 103.42 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.19 135.26 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 m -148.89 95.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.92 177.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.93 -48.75 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 38.7 41.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -170.95 108.49 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -70.53 -28.34 64.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -117.44 71.29 6.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.64 0.733 . . . . 0.0 110.917 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 80.04 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -99.51 -27.48 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -89.21 -47.17 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.74 162.51 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.2 t -124.17 153.34 68.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 111.56 2.85 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 47.4 t -147.09 120.39 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.75 169.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 57.8 p -150.23 124.94 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -116.26 127.4 54.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 m -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.3 m -68.57 167.2 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.8 t -149.96 167.57 26.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -116.95 10.15 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.44 108.17 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 27.7 m -150.53 126.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.66 125.11 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.5 t -141.25 114.93 8.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -139.91 81.29 19.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.76 21.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.05 -62.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.45 21.18 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.72 -21.02 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 152.0 38.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.54 37.24 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.63 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -144.04 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.46 147.28 23.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.5 mt -123.56 98.28 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.85 151.56 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.8 p -151.3 155.59 39.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.74 163.65 38.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -117.66 29.81 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.04 138.09 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.64 124.27 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.6 mt 53.12 39.67 29.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.1 p -45.83 -29.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -154.65 130.34 9.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.6 p -102.03 9.31 40.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -68.88 137.16 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.77 124.15 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.42 130.67 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.0 m -129.85 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -69.73 84.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -117.08 126.95 53.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.7 p -81.89 -174.26 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -69.29 -76.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -132.11 161.11 64.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.8 mtt -123.58 152.21 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 t -53.01 -27.93 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 p -54.65 118.96 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.45 -167.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 p 57.1 33.19 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.29 56.05 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -145.87 100.01 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.1 m -123.19 150.09 43.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.05 106.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.8 m -120.51 146.07 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.74 123.89 33.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 75.7 m -74.14 175.08 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.7 mttt -85.55 161.55 50.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.713 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.81 -28.5 24.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.67 -25.48 59.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -73.14 178.65 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 45.5 p -151.08 -38.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -122.42 178.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.07 163.03 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -131.4 156.65 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.18 152.11 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -131.67 106.92 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -125.82 166.34 17.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.8 91.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.93 25.92 5.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.32 138.07 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -130.8 23.85 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -87.73 -33.3 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -165.41 159.46 17.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -145.8 157.43 51.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.696 0.76 . . . . 0.0 110.927 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -74.08 -27.03 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.62 176.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -140.72 170.8 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.8 p 46.26 73.53 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.57 9.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.238 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 18.5 m -125.33 145.7 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.0 m -86.77 158.28 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 29.0 p -147.05 144.7 29.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.26 130.38 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.4 p -146.4 153.25 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.18 164.07 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 41.1 t -148.77 171.37 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -118.68 12.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.25 95.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.63 116.56 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 m -150.46 -177.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -139.61 118.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.8 125.44 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.62 110.4 43.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.83 22.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.68 -29.26 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.73 20.64 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.62 -21.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 105.71 104.58 2.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.58 34.49 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -76.16 -17.52 59.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -158.99 102.13 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.66 105.78 3.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mt -100.5 108.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.37 153.1 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.29 158.23 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -157.52 165.81 34.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -118.69 31.22 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.4 mpp_? -134.39 138.41 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.41 124.0 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 55.53 37.83 29.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -50.2 -25.19 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -142.04 118.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 30.6 t -100.32 -13.81 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.65 145.77 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 124.41 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -121.42 136.62 54.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.5 m -133.79 148.19 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -73.06 76.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -106.7 128.8 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.3 p -82.56 179.03 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -69.88 -76.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.28 161.57 38.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 68.77 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.0 ptm 178.62 80.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.8 p -112.86 123.48 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.2 -72.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -174.1 144.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 43.9 t -70.68 83.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -141.31 100.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.7 m -150.1 129.3 12.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.37 120.66 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.2 m -135.41 147.49 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 123.28 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -72.86 178.51 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.509 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.6 mtmt -86.71 161.44 47.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.1 Cg_endo -69.7 -29.29 24.4 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.04 -27.82 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.17 172.51 11.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.0 p -147.31 -33.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -122.52 171.22 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -109.39 159.92 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.7 ttt -131.31 148.54 52.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.3 m -143.48 122.28 12.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.47 112.4 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -129.84 121.6 27.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.9 m -124.13 -40.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 53.33 33.18 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.52 175.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -143.7 128.52 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -92.96 -12.89 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -139.81 161.2 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -122.51 71.7 38.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -173.95 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -70.14 -26.37 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -140.36 129.41 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.8 161.45 13.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.7 m -160.15 72.88 3.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 22.8 t -125.72 150.15 30.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.5 m -96.37 158.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p -123.24 109.62 14.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -104.89 132.36 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 77.3 p -150.05 153.63 36.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.0 m -68.58 165.96 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.17 164.72 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -114.99 9.28 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -168.67 92.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.42 106.04 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.31 123.06 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -73.11 118.68 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.2 p -92.86 42.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -161.54 81.78 1.93 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.73 21.8 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.92 -65.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 57.95 20.86 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 72.1 mt -90.26 -20.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.66 -16.26 10.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.57 37.65 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -75.56 -18.82 59.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -159.38 97.0 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.67 104.44 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 52.4 mt -98.35 96.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -91.37 148.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.1 p -150.55 155.78 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.0 p -149.73 169.27 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.87 32.73 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -137.68 138.56 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.68 125.36 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.1 mt 51.96 38.68 24.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.5 p -48.85 -26.16 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -153.99 142.12 20.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 28.3 p -99.06 -1.12 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.53 144.41 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 124.18 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -119.97 128.51 53.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.5 m -129.31 147.65 51.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.12 76.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 p -99.72 119.32 37.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p -85.28 162.13 19.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -100.18 -18.82 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -114.77 77.75 4.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 106.34 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -172.58 -172.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.2 m -83.03 137.65 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.9 t 67.12 11.36 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.61 -7.54 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.9 p 47.02 73.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.08 89.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -150.36 88.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -149.79 124.11 9.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.34 119.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -131.33 146.46 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 122.72 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -78.01 177.36 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.1 mttt -84.66 163.63 45.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.34 -28.6 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.04 146.43 27.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -129.44 -15.85 3.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.46 162.94 26.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 56.9 m -104.46 167.32 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 144.24 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -134.38 160.96 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 m -132.96 125.28 29.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.71 166.29 23.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.8 m -132.27 91.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.76 162.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.85 -24.39 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -51.51 149.98 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.65 102.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -94.74 -42.95 8.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.0 68.46 71.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 126.51 13.38 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -169.07 110.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.4 t30 52.31 29.25 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.32 146.07 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 64.8 m -136.49 154.24 76.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 80.25 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.0 m -118.04 145.54 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.72 158.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 71.4 p -150.91 170.39 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -151.1 130.99 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.5 p -146.29 158.3 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.8 m -69.49 161.19 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -150.3 157.24 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 p -106.72 15.81 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -176.05 99.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -67.13 102.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.3 t -147.86 149.44 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.52 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 23.5 m -161.13 124.78 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -144.66 82.53 10.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -68.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 10.6 p 53.37 36.2 22.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 49.8 mm -69.9 -22.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 164.08 90.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.52 28.77 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.3 40.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 17.38 22.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.94 77.52 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.4 mm -90.96 134.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -126.38 112.45 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -116.94 158.66 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -155.6 172.24 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -123.33 33.52 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -136.25 137.89 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.48 121.16 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.8 mt 60.51 36.46 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -52.23 -24.17 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.06 115.77 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 4.7 p -100.67 3.78 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -98.18 166.68 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.2 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 127.97 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 129.65 29.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 169.75 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.54 84.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -122.09 132.23 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.0 p -80.88 172.78 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -69.6 -47.23 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -151.75 159.97 32.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 83.3 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mmm -89.22 165.49 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 93.6 m -51.09 -30.46 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.0 m -65.42 113.05 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.21 60.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -51.79 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 51.1 t 48.22 72.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -147.49 100.18 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.0 m -146.9 146.78 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.12 108.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.3 m -125.88 143.21 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -92.47 125.49 37.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -73.44 177.43 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.3 OUTLIER -86.85 161.83 46.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.2 Cg_endo -69.72 -29.41 24.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -26.09 60.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.78 -178.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.0 p -151.14 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -127.71 177.75 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 72.0 m -111.66 161.46 16.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.6 ttp -130.62 155.65 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.2 m -123.78 117.93 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 tt -126.73 148.64 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.37 95.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.1 t -134.38 120.25 19.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.56 135.58 23.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -116.43 -25.27 7.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.59 -29.93 63.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.55 176.99 8.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -90.64 153.69 45.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.685 0.755 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 78.5 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.293 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -160.13 106.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.13 177.95 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -76.12 -176.29 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.3 m -51.21 109.08 1.21 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 88.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 135.06 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.7 m -87.07 165.19 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.9 p -150.82 130.7 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -116.69 132.17 56.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.0 m -148.41 149.69 32.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.46 165.09 17.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.1 t -149.18 164.39 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.9 p -112.11 8.93 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -170.43 95.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.32 108.74 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.39 136.32 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.65 109.12 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.4 p -100.82 87.8 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.82 80.07 26.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.14 -74.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.3 p 61.94 16.73 8.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.84 -22.84 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -122.05 -14.33 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.19 33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.53 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -159.07 95.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.37 125.06 41.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.2 mp -116.07 102.33 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -95.37 154.36 17.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.3 p -151.75 158.46 43.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.4 p -154.94 166.41 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.01 29.77 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -134.35 135.9 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.88 121.41 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.74 34.15 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.0 p -49.51 -24.54 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.39 140.7 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 18.0 m -99.7 -65.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.02 -179.97 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 125.12 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -114.2 134.79 54.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.6 m -133.95 140.55 46.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -71.44 77.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.9 p -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.2 p -81.15 162.92 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -95.09 34.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -150.87 152.85 32.58 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.59 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -21.43 66.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -51.05 -31.92 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -83.97 145.67 28.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.17 -76.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.5 p -64.71 171.73 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 53.4 t -176.13 79.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -144.4 99.17 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -150.35 134.62 17.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.64 118.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 144.98 50.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.27 123.37 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 71.3 m -71.6 175.88 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.5 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -85.37 161.17 52.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.29 24.13 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.01 -25.43 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.23 -179.81 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.7 p -150.48 -38.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -125.87 178.9 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.7 m -113.8 163.09 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.8 ttp -133.23 155.98 48.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.4 m -150.06 127.94 11.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m -107.43 99.2 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -123.12 175.24 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 m -147.41 89.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.5 t -83.48 -26.97 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 23.1 t -118.81 149.55 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -117.71 122.89 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.86 30.0 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -161.41 165.06 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -116.83 69.96 4.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.03 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -91.86 -26.87 18.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -138.56 160.09 40.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -82.47 -44.07 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.8 p 46.37 71.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.97 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.82 149.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.89 161.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p -145.07 106.72 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -98.75 125.29 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 59.7 p -145.45 155.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -68.52 166.85 16.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -148.91 170.65 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 p -119.17 9.85 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.27 92.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.16 112.02 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 15.9 m -150.53 118.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.71 133.38 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 32.9 m -98.66 91.32 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -144.97 80.1 11.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -87.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -89.18 -3.97 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 64.47 22.27 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 32.8 mm -77.27 -21.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -105.54 -83.91 1.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.5 36.37 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.81 -15.43 63.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -148.45 109.63 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 113.96 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.05 93.23 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -89.69 150.4 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.59 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -151.81 167.58 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -120.2 27.15 8.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -129.79 139.03 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.67 121.87 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.2 mt 57.95 37.76 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.6 p -48.76 -27.0 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -167.74 136.67 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 7.9 p -100.56 -5.14 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.68 119.76 14.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.42 ' C ' HD11 ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 124.25 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -117.46 128.3 54.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.9 m -131.62 146.22 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -70.07 87.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -118.63 124.13 46.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 17.7 p -83.67 172.55 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -94.69 -43.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -101.28 102.99 23.42 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.54 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.0 ptm -156.94 -178.97 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.39 84.69 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -152.71 137.74 17.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.89 -11.21 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.1 p -95.02 24.93 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -99.56 51.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.79 93.96 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 150.16 39.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 47.9 mt -66.99 105.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 m -120.58 145.01 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.73 124.35 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 63.0 m -80.08 169.63 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.0 mtmm -69.55 163.32 60.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.7 -27.39 26.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -79.02 -28.32 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.57 142.81 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 p -129.63 -11.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.27 161.73 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.2 m -105.18 165.48 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 154.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.2 m -146.99 153.09 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -129.57 107.41 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 42.8 mt -115.99 147.43 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.06 86.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.2 t -122.6 125.28 45.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.7 t -145.39 145.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.7 119.99 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.81 101.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.5 -33.52 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -99.81 160.54 27.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.746 0.784 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -95.34 -57.86 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -146.61 162.7 37.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -99.81 -40.38 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.89 156.51 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.68 0.752 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -170.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.5 m -101.6 165.78 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 32.8 m -78.97 155.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p -155.37 131.59 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.43 122.71 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.1 p -140.13 156.22 46.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.93 163.62 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -149.35 162.05 40.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.8 p -111.77 14.73 21.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -172.62 94.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.91 104.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.26 142.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.76 127.85 34.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.9 p -139.87 112.49 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -139.74 82.11 18.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.54 21.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.655 2.236 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.73 -58.28 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.94 20.48 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.98 -21.93 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.38 36.43 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.51 33.78 6.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.16 77.2 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.0 109.45 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -107.26 108.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -101.39 148.76 24.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.6 p -151.34 159.35 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -155.91 170.66 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -122.04 32.78 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.64 137.83 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.0 123.58 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.8 mt 57.27 36.97 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -49.58 -24.58 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -138.26 174.5 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.1 t -177.12 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.97 -13.44 62.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 123.73 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mppt? -115.34 130.01 56.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -129.43 143.57 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.83 76.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.4 p -106.73 128.92 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.92 153.73 26.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 22.76 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -150.67 67.82 8.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.752 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 74.18 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -179.89 121.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 m 50.37 35.18 10.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.8 p -99.91 108.33 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.3 -8.65 59.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 72.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.18 80.92 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -142.98 98.48 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.2 m -145.13 132.24 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.26 113.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 55.1 m -128.93 145.4 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.15 122.19 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 82.2 m -71.38 176.69 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -85.73 161.09 51.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -29.79 23.33 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.5 -25.36 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -71.31 179.36 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.1 p -150.92 -38.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -124.06 176.81 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.9 m -112.53 161.57 16.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -132.3 154.31 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.4 m -145.59 127.53 15.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.0 m -100.5 111.45 23.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.14 136.15 53.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 m -148.45 95.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.1 p -51.12 129.83 24.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.3 m -56.83 -23.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 58.03 29.67 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -162.03 103.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -95.53 28.89 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -113.64 159.92 33.77 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.649 0.737 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.77 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.67 -59.5 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -131.22 105.65 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -143.17 128.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 m -174.89 72.52 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.86 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.8 t -129.19 148.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.7 m -145.33 176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.7 p -153.81 107.91 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.436 HH21 ' ND2' ' A' ' 178' ' ' ASN . 26.0 ttt-85 -102.35 125.96 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.0 p -143.79 154.23 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 25.9 m -68.39 166.52 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.3 t -149.97 169.57 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.0 p -118.5 12.47 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -171.91 93.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.48 106.03 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.55 115.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.77 122.32 20.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.3 p -155.75 118.47 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.19 85.4 2.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.652 0.739 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -87.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.29 -34.43 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.18 19.75 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.4 mm -87.29 -21.13 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.34 59.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.37 31.82 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.27 43.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -87.12 -78.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.3 88.6 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -97.26 95.44 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -89.88 151.6 21.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -151.1 156.53 41.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.44 167.37 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.28 26.56 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -130.21 138.1 50.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.09 120.04 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.2 mt 60.53 38.01 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.8 p -47.62 -28.1 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.436 ' ND2' HH21 ' A' ' 149' ' ' ARG . 1.0 OUTLIER -161.87 135.27 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 8.5 t -101.51 -11.37 19.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.38 151.38 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 125.47 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -123.56 134.19 53.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.6 m -133.38 148.0 51.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.49 80.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -108.64 126.02 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.4 p -82.69 -176.06 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -74.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.35 161.14 34.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 127.96 15.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.19 161.69 22.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -96.98 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 p -52.85 -53.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.61 103.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -51.79 113.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 47.8 t -75.39 73.08 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -139.45 95.06 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -146.3 131.53 18.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.18 117.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.0 m -130.48 146.38 52.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -87.92 122.62 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.6 m -73.74 176.62 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.548 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -85.01 163.75 44.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.82 -27.67 25.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -76.61 -27.84 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -81.53 145.41 30.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.2 p -126.58 -19.76 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -127.11 167.04 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 75.7 m -107.9 165.12 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.9 ttp -134.65 152.83 52.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 85.5 m -144.82 127.33 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.3 m -104.81 112.26 25.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.7 mt -127.34 170.22 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.79 103.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 43.1 p -120.6 160.45 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.6 t -121.7 147.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -52.56 -46.14 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.87 93.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -159.75 164.6 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -142.01 136.78 15.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.757 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -87.02 -50.84 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -89.73 -69.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -146.15 164.2 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.4 p -124.33 156.27 67.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 0.0 110.811 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.15 161.23 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.06 171.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p -156.29 114.7 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.81 123.61 47.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.5 m -145.29 156.77 44.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.2 m -69.19 165.94 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.5 t -150.38 149.96 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -98.36 14.73 27.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 p -174.72 98.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.5 t -67.15 101.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 22.3 t -148.6 151.23 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.57 167.27 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.6 p -100.2 -176.71 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -75.5 160.35 79.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.538 0.685 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.68 16.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.621 2.214 . . . . 0.0 112.411 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.97 -48.53 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.03 30.25 13.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.01 -20.9 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -119.66 58.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.72 33.81 8.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -95.38 47.24 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -87.58 -78.3 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.04 74.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.63 93.59 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -95.07 152.37 18.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.55 157.84 43.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -152.86 172.45 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -123.74 33.48 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -136.27 138.07 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.03 122.22 13.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.6 mt 58.56 37.84 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.2 p -54.18 -20.36 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.38 -175.56 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 20.1 p -175.17 79.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -140.44 173.73 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 122.94 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 135.17 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.58 166.94 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -77.82 76.3 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -102.97 122.71 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.5 p -84.09 161.51 20.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -100.29 18.46 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.4 160.92 32.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -165.27 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.6 ttt -61.86 -16.26 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.8 t -49.55 -29.44 6.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 m -73.41 166.23 23.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.0 -68.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -131.41 109.2 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.89 88.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -150.08 100.78 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -150.22 131.24 14.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.12 114.51 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.4 m -132.48 144.63 50.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.47 125.01 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.6 m -73.17 -179.08 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.541 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 24.3 mmtt -88.96 162.89 36.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.83 -27.92 25.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.48 -25.59 54.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -86.98 147.57 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.1 p -126.23 -20.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -126.54 167.12 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.1 m -108.55 166.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -139.1 154.6 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -147.99 138.43 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.02 122.51 47.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.41 134.26 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 m -148.5 80.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 15.3 t -129.77 147.08 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.8 t 51.36 45.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 177.43 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.24 93.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -167.73 163.83 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.97 68.85 6.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.661 0.743 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.98 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -85.72 -25.88 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.34 149.25 47.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.2 p -175.46 74.35 0.29 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.712 0.767 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.6 p -137.3 120.04 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -81.64 158.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.08 121.92 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -107.97 116.46 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.6 p -141.49 156.58 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.5 m -68.38 164.06 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.9 t -150.43 149.34 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.1 p -95.95 11.36 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -169.78 96.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -66.67 123.15 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.67 162.59 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -138.28 141.43 39.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 27.4 p -100.13 -165.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.81 160.22 29.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.95 -42.06 81.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.89 24.77 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.99 -21.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -129.67 69.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.59 33.94 6.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.22 67.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -69.46 -169.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.67 88.03 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.8 130.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -127.2 116.85 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -122.59 155.3 36.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.99 172.37 16.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.31 31.51 5.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -135.37 137.75 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.46 121.38 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.2 mt 64.83 33.41 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.41 -24.74 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -146.16 123.48 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -94.52 -34.9 12.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -70.0 165.7 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 124.02 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 134.03 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -134.13 149.64 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.72 96.81 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 p -123.12 125.21 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.14 166.8 18.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -70.32 -40.5 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -144.05 160.43 49.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.79 4.73 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 106.34 10.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.5 m -73.39 -17.76 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 p -103.0 -46.0 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.54 -178.07 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 m -107.78 100.3 9.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 37.1 t -67.61 85.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -147.81 101.8 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.89 134.25 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.94 115.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.3 m -132.19 144.69 50.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 123.26 32.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -70.77 174.59 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -87.53 161.18 46.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.2 Cg_endo -69.8 -30.1 22.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.22 -22.47 57.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.16 -179.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.5 p -150.59 -38.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.06 179.65 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.8 m -111.3 156.64 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.79 147.13 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 51.7 m -149.09 94.14 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -89.94 131.37 35.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -149.5 176.3 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.26 93.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 75.7 p -111.21 -175.68 2.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.4 p 40.09 37.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -152.04 135.72 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.17 48.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.81 147.59 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.4 66.85 6.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.726 0.774 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -168.44 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.647 2.232 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.61 -77.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -167.46 101.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 145' ' ' PRO . 0.7 OUTLIER -135.75 160.21 68.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.702 0.763 . . . . 0.0 110.868 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 144' ' ' SER . 53.6 Cg_endo -69.78 -161.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.96 129.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.423 ' O ' ' CG2' ' A' ' 148' ' ' THR . 13.7 m -59.61 -171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 147' ' ' VAL . 0.5 OUTLIER 178.0 -179.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -125.63 116.97 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 p -149.84 162.45 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -69.01 168.46 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.7 t -145.34 169.14 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.3 p -118.09 10.7 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -171.99 93.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.6 t -68.17 100.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.9 t -149.94 139.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.06 115.9 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 28.6 m -99.95 80.07 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -142.6 80.15 14.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.691 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -7.84 22.08 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.63 -60.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.0 19.98 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.7 -24.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -124.75 -27.02 1.33 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.91 33.36 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -77.12 -18.32 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -100.53 94.62 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.92 92.37 6.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.87 92.11 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.13 148.83 21.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 p -150.03 157.67 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -150.72 170.79 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.82 31.99 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.48 138.62 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.11 122.04 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 mt 56.92 37.22 28.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.6 p -52.01 -24.52 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -143.72 122.48 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -99.43 -33.91 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.77 155.97 39.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.95 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -121.45 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -132.3 146.34 51.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.94 79.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -103.38 121.25 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.2 159.02 21.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -94.2 13.47 23.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -150.04 98.83 3.3 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.653 0.74 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 108' ' ' GLU . 53.6 Cg_endo -69.75 93.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 ttt -158.7 166.6 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.75 -31.66 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -62.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.08 127.09 31.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -60.91 109.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 35.8 t -72.66 80.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -143.89 96.79 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.7 m -150.14 124.3 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.41 120.55 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.5 m -134.76 147.97 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 122.41 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 74.4 m -68.97 176.38 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 22.5 mttt -86.39 161.34 48.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.72 -28.83 24.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -75.14 -27.61 59.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.84 179.69 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 67.6 p -151.22 -38.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -123.99 179.1 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.5 m -112.16 163.5 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.5 ttt -133.22 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.1 m -140.38 135.94 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.2 m -120.37 92.24 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 54.8 tp -95.85 146.19 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.9 104.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 41.6 m -119.21 103.37 9.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.1 m -150.42 174.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.68 149.62 21.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.42 99.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.72 -12.36 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.56 74.85 2.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.14 34.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -87.04 -27.71 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -95.62 -20.9 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -139.77 163.06 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 p -172.86 74.72 0.42 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.83 26.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.53 166.07 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.07 164.15 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p -156.43 115.75 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -109.56 111.77 23.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.2 p -137.37 158.76 43.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 26.9 m -68.14 166.26 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.7 t -148.03 168.57 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.5 p -118.48 7.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.99 90.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.03 109.57 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.4 126.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.96 127.14 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.5 p -93.22 90.94 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.75 80.64 15.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.41 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 53.4 Cg_endo -69.75 -86.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.41 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 10.1 t0 -82.57 -12.29 57.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 63.34 19.23 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.2 mt -75.47 -23.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -121.85 -86.08 0.83 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.38 38.68 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.94 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -100.36 107.37 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.81 105.79 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.2 107.71 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -111.13 107.97 17.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.3 p -114.9 154.93 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.0 p -150.08 171.19 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -121.93 31.56 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -135.41 138.64 43.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.24 124.31 19.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 54.92 37.49 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.2 p -50.65 -25.0 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -149.6 127.96 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 56.4 p -100.76 -30.59 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.0 150.22 46.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 124.79 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -133.47 131.32 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.24 167.69 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -76.72 105.64 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -136.72 123.91 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 p -83.53 -175.78 5.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -29.28 14.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.66 156.95 56.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 127.29 14.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.68 85.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 93.1 m -58.31 -52.75 64.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.0 t -51.21 -42.38 60.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.1 -168.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 p -75.05 -65.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.0 t 62.1 35.08 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -136.69 94.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -129.71 149.13 51.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.81 121.42 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 m -134.83 143.88 47.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.89 124.65 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.7 m -71.84 178.79 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.3 mmtt -88.26 161.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.679 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.72 -29.18 24.49 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.07 -25.34 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.21 -178.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 57.8 p -150.76 -39.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -127.47 179.6 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.3 m -110.87 165.99 11.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.7 ttp -136.75 152.15 50.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -140.9 152.81 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -130.05 92.44 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.9 tt -106.13 133.51 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.48 15.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.0 m -47.17 -33.5 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.7 t -85.81 99.93 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 58.6 72.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.58 -31.2 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -163.72 170.99 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -87.89 162.85 40.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.717 0.77 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -7.59 21.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -83.14 -9.47 59.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -176.24 107.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.2 142.42 27.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.3 p 179.79 66.05 0.14 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.98 68.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.1 p -150.37 121.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.4 m -125.72 166.67 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -158.56 138.39 12.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -124.52 122.39 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.3 p -141.29 156.15 45.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 55.7 m -68.35 168.19 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.6 t -149.61 167.79 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.5 p -117.04 8.13 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.32 92.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.4 t -68.37 112.56 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.2 m -150.36 111.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.55 124.48 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 94.1 m -94.1 90.53 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -151.22 80.45 6.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -86.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.4 -9.5 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 63.56 20.1 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.7 mt -71.95 -21.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -107.28 -77.02 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.19 37.12 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.79 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -143.14 103.37 4.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.08 109.79 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 mp -90.88 135.43 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.39 115.25 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -119.16 155.32 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -150.14 165.67 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -119.35 31.38 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -136.4 137.55 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.43 120.78 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.13 35.34 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.81 -24.12 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -138.16 172.89 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.2 t -177.77 98.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.39 -77.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.9 125.02 25.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.24 128.1 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.2 m -133.73 165.78 24.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -76.12 113.42 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 p -144.43 126.87 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.85 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -71.66 -76.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -106.73 156.11 37.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -4.68 14.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.4 tpt -89.21 -24.66 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.3 p -52.25 102.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.73 -20.54 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -50.25 -56.43 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.4 p -173.11 107.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 47.2 t -104.18 71.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -143.99 41.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -94.4 138.51 32.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.98 132.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.3 m -139.08 144.45 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 123.23 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 73.9 m -73.33 176.19 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.9 mttt -86.72 161.18 48.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.49 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.73 -30.01 23.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.76 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -69.28 -177.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.3 p -151.29 -38.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.5 178.85 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.1 m -112.42 163.28 14.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttm -133.12 148.99 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 m -137.09 158.88 43.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.4 96.55 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.58 127.92 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.59 -26.93 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.1 m -51.06 103.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.13 146.81 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -51.42 113.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.39 103.45 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.9 -16.55 63.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -113.8 73.83 2.34 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.68 0.752 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 79.08 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -88.46 -28.76 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -73.37 128.06 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -95.9 34.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.2 t -61.29 153.07 70.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.708 0.766 . . . . 0.0 110.806 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.1 t -90.11 157.74 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -49.79 155.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.6 p -144.39 139.38 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -129.9 125.09 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -145.79 154.27 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.7 m -68.26 166.51 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.39 168.98 22.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.1 p -117.34 8.5 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.11 93.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.73 114.73 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.5 m -149.49 124.11 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.65 113.01 6.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.6 t -100.54 71.61 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.76 95.08 8.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.481 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 53.2 Cg_endo -69.78 -78.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.481 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 0.9 OUTLIER -69.47 -59.72 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 t 57.79 22.17 8.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.1 mt -73.89 -21.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.09 -18.32 20.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.12 35.54 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.04 -17.33 63.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -156.13 148.66 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.69 123.12 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.03 124.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.42 117.39 28.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.7 p -120.5 152.19 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -149.86 161.55 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -116.19 31.2 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -135.85 135.71 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.4 121.89 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.16 36.72 21.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.4 p -47.49 -27.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -141.86 -167.85 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -173.21 92.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.15 165.49 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 123.38 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.23 139.77 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.45 166.94 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.34 72.91 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 p -81.92 -175.83 5.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.66 -66.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.54 161.4 49.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 90.27 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.7 ttt -111.07 175.81 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.0 t -51.22 -30.17 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.3 p -53.99 109.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.12 -6.55 50.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m -70.94 -75.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 41.0 t 51.11 81.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -150.26 102.02 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m -149.72 135.07 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.92 114.72 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.8 m -134.89 144.5 47.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -89.8 125.62 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.9 m -72.65 175.9 5.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.484 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.2 mtmm -82.5 161.29 59.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.81 -28.86 24.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.66 -23.08 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.94 -179.6 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.7 p -150.1 -41.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -128.61 -177.0 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 m -116.54 166.96 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -132.77 147.25 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 87.7 m -138.32 130.37 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 m -117.88 98.1 6.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -95.45 139.69 31.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.87 103.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.38 165.34 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.76 -30.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -53.77 120.83 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.17 105.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.97 -21.96 63.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -113.85 73.91 2.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.33 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -98.56 -28.96 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -139.73 128.54 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -94.09 105.43 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.0 t 178.38 68.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 91.3 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.99 141.83 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 31.5 m -100.23 168.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.3 p -148.19 119.74 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -113.7 123.01 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.4 171.1 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.0 165.86 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.4 t -150.21 140.45 22.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -93.88 16.02 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -171.48 94.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.2 t -66.99 111.96 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.53 -174.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.61 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 17.3 p -70.62 -164.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.25 157.79 88.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.81 21.99 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 p 61.98 16.64 8.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.19 81.07 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 160.8 -41.13 0.43 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.64 35.06 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.11 -20.81 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -160.97 94.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.32 108.5 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 124.12 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -135.59 107.48 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.65 161.06 14.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.0 p -156.83 166.94 31.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -120.85 28.48 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 137.54 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.43 122.18 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 63.55 33.81 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.17 -25.65 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -143.9 121.07 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 -52.71 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.48 172.64 8.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 126.44 29.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -138.17 136.78 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 m -133.35 173.71 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -84.4 74.49 10.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -106.49 129.45 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p -80.8 -177.36 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -69.3 -48.75 60.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -151.99 157.61 34.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.298 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.5 tpt -156.08 140.68 16.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 t -57.36 120.21 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.0 t -148.04 -175.42 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.47 48.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -179.17 123.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.17 42.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.36 91.48 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 m -122.94 140.87 52.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 24.3 mt -65.58 107.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.2 m -126.39 144.43 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.77 124.02 34.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 81.3 m -68.92 174.95 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 3.6 mttt -84.6 161.42 53.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.75 -29.23 24.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.95 -27.76 61.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.32 -179.2 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.3 p -151.03 -39.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -121.22 -177.3 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.14 162.39 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.9 ttm -133.27 155.73 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 m -150.13 139.12 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.0 m -116.51 109.66 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.45 145.99 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.73 103.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.1 103.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.32 -26.08 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.41 -27.51 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.85 71.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -98.61 -179.89 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -103.23 159.76 28.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 109.59 2.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -100.77 -155.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -116.98 -6.79 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.27 -24.34 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.9 t 61.92 73.76 0.54 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.5 40.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.4 149.7 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.8 m -66.79 160.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.7 p -144.05 120.8 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.25 126.18 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.3 p -147.26 150.8 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.42 165.33 19.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.9 t -150.21 166.54 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.6 p -109.64 15.07 23.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -172.97 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.59 113.27 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.5 p -144.85 160.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -138.74 134.16 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -159.9 116.8 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.02 88.67 3.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.06 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 -72.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.46 20.6 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.69 -21.87 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 172.16 34.0 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.06 36.65 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.8 63.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -149.72 137.15 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.12 125.48 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.89 104.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -98.72 154.72 17.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.7 p -150.52 167.53 26.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 6.2 p -166.67 172.1 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -123.29 29.56 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.11 139.41 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 124.34 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 3.3 mt 59.48 34.31 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.7 p -51.29 -25.02 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -146.66 178.35 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.8 91.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.72 148.14 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 126.26 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -122.75 125.86 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -129.51 146.56 51.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -70.22 88.5 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 p -119.16 123.99 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.51 179.17 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.02 -77.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -106.7 159.13 30.96 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.74 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 125.36 12.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.2 ptm -175.05 129.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.7 p -86.63 -31.01 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -52.41 -47.47 66.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.72 -177.83 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -104.23 93.15 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.23 69.3 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -141.24 53.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -103.13 132.48 49.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.02 115.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -121.79 144.6 48.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.44 122.45 31.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.0 m -80.23 179.68 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.561 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.5 OUTLIER -87.36 163.82 37.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.6 Cg_endo -69.71 -27.86 26.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -84.47 145.1 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 p -127.43 -16.07 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -128.55 164.47 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 35.2 m -109.04 165.32 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.17 145.67 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.64 147.26 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m -122.41 110.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -153.12 152.53 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 134' ' ' THR . 0.2 OUTLIER -139.76 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 133' ' ' VAL . 2.4 t 34.93 66.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.9 m -107.52 -179.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -84.85 141.51 30.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -162.59 103.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -71.21 -24.71 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -117.9 68.92 6.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.704 0.764 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.73 45.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -100.13 24.28 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 40.33 42.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -22.87 63.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.7 m 62.48 68.61 1.01 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.731 0.777 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.62 41.39 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.7 t -149.85 139.66 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -84.75 157.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.5 p -155.47 130.69 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -118.84 132.92 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.64 167.98 24.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.67 161.1 28.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.1 t -150.46 163.42 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.6 p -116.82 14.27 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -171.82 94.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.3 105.36 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.17 145.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.33 121.42 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.0 119.26 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -103.36 96.21 8.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.06 22.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.35 -30.0 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 62.39 18.29 10.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.4 mt -99.26 -22.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 98.96 102.21 2.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.62 36.69 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.18 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -158.39 108.77 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.31 125.04 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.05 128.27 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -116.44 112.46 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.7 p -120.04 157.47 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.51 173.46 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -123.96 31.56 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -137.69 137.87 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.85 123.34 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.53 37.76 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 -23.84 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.47 140.2 39.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 5.2 t -100.96 24.83 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -99.91 168.24 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 123.8 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -120.68 131.18 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.2 m -126.19 152.8 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -75.43 70.32 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -98.6 128.4 44.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.2 p -81.79 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -87.18 -15.79 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.83 72.64 16.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 81.8 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' THR . 3.5 ttm -175.09 129.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' MET . 9.4 t 37.49 42.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.2 m -99.29 110.22 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.64 -13.79 61.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -116.55 -71.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 43.9 t 50.94 82.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -150.03 101.6 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -146.16 134.17 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.58 114.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.5 m -132.75 145.25 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.88 124.13 33.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 94.2 m -75.32 -178.51 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.519 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -87.72 162.01 43.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.75 -28.29 25.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -74.77 -21.21 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.74 179.59 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 69.8 p -150.34 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.59 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.0 m -112.72 164.06 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.9 ttp -132.92 153.29 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 49.3 m -145.49 132.98 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.52 112.16 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.39 144.54 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.0 91.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 p -105.09 20.44 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.02 143.6 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -116.63 -25.97 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.19 -75.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.06 146.22 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.26 135.77 25.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.696 0.76 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -86.14 -26.06 25.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -123.0 164.1 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 152.42 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.2 p 62.95 157.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 141.56 45.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.56 143.77 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.94 159.74 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.1 p -145.31 125.92 14.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.25 127.59 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.2 169.94 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.7 m -75.56 160.06 30.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.1 t -144.6 145.41 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 93.9 p -101.86 12.87 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -171.73 93.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.66 101.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 10.3 m -150.56 119.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.86 115.61 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.46 115.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.82 159.96 50.88 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 53.9 Cg_endo -69.75 -86.6 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 11.5 t0 -86.97 -25.6 24.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 86.4 p 49.11 89.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 60.9 mt -100.04 -21.92 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.48 28.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 52.03 36.11 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.63 -15.67 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -100.0 89.37 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 105.79 7.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.1 mt -104.1 105.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.36 155.79 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -150.55 157.47 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -151.04 166.11 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -118.78 30.1 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -133.17 138.5 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 121.14 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.5 mt 60.75 36.87 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.3 p -51.12 -24.8 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -139.52 112.38 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 12.4 t -100.88 -59.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.45 124.51 24.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 126.12 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 137.53 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.82 76.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 p -82.26 146.1 29.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -72.59 -29.6 63.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -95.76 145.19 29.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -165.48 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.25 -21.51 24.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.0 p -48.44 -38.14 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 134.67 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.16 179.76 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.26 66.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 36.7 t -82.01 88.99 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.52 99.42 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.96 126.84 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.06 119.98 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.4 m -132.34 145.59 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -88.92 124.25 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 95.8 m -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.536 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.6 mttt -85.21 163.64 44.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.73 -28.7 25.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -72.23 -27.72 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.12 144.91 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -128.87 -11.42 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.73 164.69 26.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.1 m -109.12 166.46 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.6 ttp -135.48 151.75 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 79.5 m -139.61 110.94 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.7 m -88.99 115.59 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 21.8 tp -130.05 150.68 51.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.8 p -150.26 103.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.1 166.12 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 85.3 t -115.57 -23.66 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 63.22 53.66 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -168.24 104.77 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.89 117.41 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -149.01 157.93 39.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.703 0.763 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -174.9 113.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -51.46 103.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -89.42 -21.91 22.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.2 t 63.4 70.66 0.7 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 103.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.87 151.0 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.5 m -129.27 149.18 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -111.29 102.12 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.75 133.99 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.68 171.09 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.77 161.84 20.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.5 t -150.39 157.12 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -110.34 17.19 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -174.23 95.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.72 100.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p -150.75 140.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.14 115.84 9.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -175.84 133.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -140.38 81.05 18.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -7.71 21.75 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.277 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -82.81 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.6 m 51.77 26.35 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.2 -21.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -128.8 28.33 4.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.68 35.92 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.33 58.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -69.44 -22.14 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.41 91.87 8.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.7 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.73 154.22 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.6 p -150.97 159.55 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.56 173.96 15.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.11 33.39 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 138.91 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.9 123.73 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.25 36.13 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.5 p -50.92 -25.23 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -139.86 112.17 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.8 p -99.91 10.99 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.64 147.27 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 123.81 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -119.95 131.74 55.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -129.82 150.77 50.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.64 70.19 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -98.12 124.69 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p -83.21 168.26 16.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -99.9 -14.56 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -113.57 74.54 2.3 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.658 0.742 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.55 12.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.67 -37.51 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -68.77 160.26 30.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.5 t -93.1 -3.39 54.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.53 166.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 100.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.02 88.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.8 mtp-105 -148.73 100.68 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.4 m -150.22 126.69 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.5 mt -67.59 117.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.1 m -132.64 147.96 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -88.79 122.2 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 98.4 m -73.35 177.96 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.509 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.5 mttm -85.53 161.66 50.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.83 -28.88 24.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.56 -27.04 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.08 173.74 10.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -149.36 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -120.01 172.33 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.3 m -111.57 159.74 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttt -132.21 142.15 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.4 m -138.74 130.75 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.2 m -108.68 107.01 17.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.67 155.47 19.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.81 103.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 167.95 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.1 p -90.1 12.23 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -94.87 31.36 1.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.58 74.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.92 -20.91 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -91.86 154.92 43.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 74.57 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -100.17 -55.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -108.17 -173.52 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -99.51 -48.92 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.0 m -149.74 160.47 33.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.75 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.19 150.15 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.8 m -114.21 170.2 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 p -152.5 111.14 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -106.15 130.35 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.0 m -147.88 155.65 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 14.8 m -68.51 163.22 23.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.8 t -149.91 170.26 19.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.78 11.09 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -169.74 92.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.94 110.71 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 m -150.19 145.13 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -82.87 135.85 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.1 t -98.58 92.18 5.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -146.22 80.75 10.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 54.2 Cg_endo -69.69 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.402 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 20.3 m-20 -83.81 -5.45 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 64.78 19.61 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 80.0 mt -76.02 -21.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -137.54 -104.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.69 39.96 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.28 -14.88 63.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -92.89 115.28 27.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.69 108.96 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.58 90.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.77 111.83 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 8.7 p -122.85 153.74 39.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.1 p -150.65 174.19 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.2 30.71 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -136.36 138.77 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.8 125.19 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 mt 51.82 38.66 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.1 p -49.37 -26.02 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -143.25 120.87 11.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.84 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -139.6 150.43 45.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.2 tpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 125.38 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.82 135.79 53.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.8 m -134.42 141.65 46.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -70.36 81.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.5 p -114.08 131.02 56.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.755 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.93 110.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -129.03 147.66 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -88.63 121.14 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.0 m -68.55 178.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.526 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -87.52 160.94 46.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.78 -30.74 21.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -27.36 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.48 175.87 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.3 p -147.31 -36.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -125.31 175.69 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.81 162.0 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.1 154.52 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.487 HG23 ' HD2' ' A' ' 149' ' ' ARG . 2.0 m -148.11 138.73 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.773 0.321 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' HD2' HG23 ' A' ' 130' ' ' THR . 18.0 ttt-85 -116.26 127.4 54.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 m -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.3 m -68.57 167.2 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.8 t -149.96 167.57 26.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -116.95 10.15 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.44 108.17 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.31 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.5 mt -123.56 98.28 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.85 151.56 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.8 p -151.3 155.59 39.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.74 163.65 38.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -117.66 29.81 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.04 138.09 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.64 124.27 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.6 mt 53.12 39.67 29.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.1 p -45.83 -29.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.77 124.15 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.42 130.67 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.0 m -129.85 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -69.73 84.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -117.08 126.95 53.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.05 106.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.8 m -120.51 146.07 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.74 123.89 33.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 75.7 m -74.14 175.08 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.7 mttt -85.55 161.55 50.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.713 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.81 -28.5 24.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.67 -25.48 59.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -73.14 178.65 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 45.5 p -151.08 -38.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -122.42 178.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.07 163.03 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -131.4 156.65 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.641 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -146.18 152.11 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -128.26 130.38 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.4 p -146.4 153.25 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.18 164.07 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 41.1 t -148.77 171.37 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -118.68 12.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.25 95.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.63 116.56 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mt -100.5 108.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.37 153.1 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.29 158.23 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.453 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.8 p -157.52 165.81 34.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 23.3 m-85 -118.69 31.22 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.4 mpp_? -134.39 138.41 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.41 124.0 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 55.53 37.83 29.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -50.2 -25.19 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 124.41 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -121.42 136.62 54.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.5 m -133.79 148.19 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -73.06 76.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -106.7 128.8 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.775 0.321 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.37 120.66 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.2 m -135.41 147.49 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 123.28 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -72.86 178.51 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.536 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.6 mtmt -86.71 161.44 47.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.1 Cg_endo -69.7 -29.29 24.4 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.04 -27.82 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.17 172.51 11.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.0 p -147.31 -33.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -122.52 171.22 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -109.39 159.92 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.7 ttt -131.31 148.54 52.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.3 m -143.48 122.28 12.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -104.89 132.36 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 77.3 p -150.05 153.63 36.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.0 m -68.58 165.96 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.17 164.72 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -114.99 9.28 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -168.67 92.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.42 106.04 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 52.4 mt -98.35 96.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -91.37 148.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.1 p -150.55 155.78 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.422 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -149.73 169.27 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.483 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -120.87 32.73 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -137.68 138.56 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.68 125.36 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.1 mt 51.96 38.68 24.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.5 p -48.85 -26.16 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 124.18 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -119.97 128.51 53.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.5 m -129.31 147.65 51.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.12 76.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 p -99.72 119.32 37.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.34 119.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -131.33 146.46 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 122.72 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -78.01 177.36 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.585 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.1 mttt -84.66 163.63 45.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.34 -28.6 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.04 146.43 27.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -129.44 -15.85 3.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.767 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.46 162.94 26.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 56.9 m -104.46 167.32 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 144.24 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -134.38 160.96 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.744 0.306 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -151.1 130.99 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.5 p -146.29 158.3 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.8 m -69.49 161.19 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -150.3 157.24 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 p -106.72 15.81 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -176.05 99.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -67.13 102.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.805 0.336 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.4 mm -90.96 134.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -126.38 112.45 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -116.94 158.66 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -155.6 172.24 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.767 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 28.0 m-85 -123.33 33.52 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -136.25 137.89 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.48 121.16 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.8 mt 60.51 36.46 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -52.23 -24.17 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.2 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 127.97 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 129.65 29.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 169.75 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.54 84.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -122.09 132.23 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.12 108.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.3 m -125.88 143.21 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -92.47 125.49 37.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -73.44 177.43 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.3 OUTLIER -86.85 161.83 46.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.2 Cg_endo -69.72 -29.41 24.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -26.09 60.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.78 -178.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.0 p -151.14 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -127.71 177.75 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 72.0 m -111.66 161.46 16.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.6 ttp -130.62 155.65 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.4 OUTLIER -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.807 0.337 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.619 ' HG3' HG23 ' A' ' 130' ' ' THR . 10.8 ttt-85 -116.69 132.17 56.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.0 m -148.41 149.69 32.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.46 165.09 17.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.1 t -149.18 164.39 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.9 p -112.11 8.93 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -170.43 95.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.32 108.74 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.2 mp -116.07 102.33 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -95.37 154.36 17.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.3 p -151.75 158.46 43.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.4 p -154.94 166.41 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.01 29.77 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -134.35 135.9 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.88 121.41 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.74 34.15 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.0 p -49.51 -24.54 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 125.12 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -114.2 134.79 54.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.6 m -133.95 140.55 46.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -71.44 77.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.9 p -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.64 118.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 144.98 50.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.27 123.37 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 71.3 m -71.6 175.88 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -85.37 161.17 52.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.29 24.13 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.01 -25.43 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.23 -179.81 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.7 p -150.48 -38.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -125.87 178.9 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.7 m -113.8 163.09 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.8 ttp -133.23 155.98 48.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.516 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -150.06 127.94 11.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 130' ' ' THR . 19.8 ttt-85 -98.75 125.29 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 59.7 p -145.45 155.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -68.52 166.85 16.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -148.91 170.65 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 p -119.17 9.85 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.27 92.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.16 112.02 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 156' ' ' VAL . 15.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.05 93.23 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -89.69 150.4 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.59 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.7 p -151.81 167.58 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 24.9 m-85 -120.2 27.15 8.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -129.79 139.03 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.67 121.87 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.2 mt 57.95 37.76 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.6 p -48.76 -27.0 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 124.25 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -117.46 128.3 54.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.9 m -131.62 146.22 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -70.07 87.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -118.63 124.13 46.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.728 0.299 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 47.9 mt -66.99 105.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 m -120.58 145.01 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.73 124.35 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 63.0 m -80.08 169.63 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.0 mtmm -69.55 163.32 60.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.7 -27.39 26.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -79.02 -28.32 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.57 142.81 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 p -129.63 -11.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -131.27 161.73 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.2 m -105.18 165.48 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 154.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 149' ' ' ARG . 2.2 m -146.99 153.09 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.499 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -114.43 122.71 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.1 p -140.13 156.22 46.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.93 163.62 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -149.35 162.05 40.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.8 p -111.77 14.73 21.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -172.62 94.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.91 104.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -107.26 108.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -101.39 148.76 24.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.6 p -151.34 159.35 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -155.91 170.66 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.661 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.8 m-85 -122.04 32.78 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.64 137.83 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.0 123.58 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.8 mt 57.27 36.97 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -49.58 -24.58 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 123.73 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mppt? -115.34 130.01 56.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -129.43 143.57 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.83 76.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.4 p -106.73 128.92 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.1 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.78 0.324 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.26 113.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 55.1 m -128.93 145.4 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.15 122.19 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 82.2 m -71.38 176.69 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -85.73 161.09 51.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -29.79 23.33 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.5 -25.36 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -71.31 179.36 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.1 p -150.92 -38.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.726 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -124.06 176.81 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.9 m -112.53 161.57 16.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -132.3 154.31 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -145.59 127.53 15.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.454 HH21 ' ND2' ' A' ' 178' ' ' ASN . 26.0 ttt-85 -102.35 125.96 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.0 p -143.79 154.23 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 25.9 m -68.39 166.52 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.3 t -149.97 169.57 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.0 p -118.5 12.47 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -171.91 93.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.48 106.03 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 156' ' ' VAL . 14.2 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.834 0.35 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -97.26 95.44 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -89.88 151.6 21.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -151.1 156.53 41.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.443 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.3 p -151.44 167.37 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.726 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 20.1 m-85 -120.28 26.56 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -130.21 138.1 50.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.09 120.04 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.2 mt 60.53 38.01 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.8 p -47.62 -28.1 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' ND2' HH21 ' A' ' 149' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 125.47 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -123.56 134.19 53.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.6 m -133.38 148.0 51.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.49 80.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -108.64 126.02 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.4 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.777 0.323 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.18 117.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.0 m -130.48 146.38 52.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -87.92 122.62 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.6 m -73.74 176.62 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -85.01 163.75 44.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.82 -27.67 25.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -76.61 -27.84 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -81.53 145.41 30.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.2 p -126.58 -19.76 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -127.11 167.04 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 75.7 m -107.9 165.12 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.9 ttp -134.65 152.83 52.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 85.5 m -144.82 127.33 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.81 123.61 47.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.5 m -145.29 156.77 44.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.2 m -69.19 165.94 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.5 t -150.38 149.96 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -98.36 14.73 27.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 p -174.72 98.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.5 t -67.15 101.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.63 93.59 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -95.07 152.37 18.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.55 157.84 43.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -152.86 172.45 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 4.0 m-85 -123.74 33.48 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -136.27 138.07 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.03 122.22 13.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.6 mt 58.56 37.84 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.2 p -54.18 -20.36 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 122.94 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 135.17 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.58 166.94 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -77.82 76.3 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -102.97 122.71 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.746 0.307 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.12 114.51 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.4 m -132.48 144.63 50.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.47 125.01 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.6 m -73.17 -179.08 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 24.3 mmtt -88.96 162.89 36.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.83 -27.92 25.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.48 -25.59 54.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -86.98 147.57 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.1 p -126.23 -20.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -126.54 167.12 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.1 m -108.55 166.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -139.1 154.6 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.478 HG23 ' HG3' ' A' ' 149' ' ' ARG . 4.1 m -147.99 138.43 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' HG3' HG23 ' A' ' 130' ' ' THR . 1.4 ttt180 -107.97 116.46 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.6 p -141.49 156.58 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.5 m -68.38 164.06 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.9 t -150.43 149.34 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.1 p -95.95 11.36 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 156' ' ' VAL . 3.2 p -169.78 96.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -66.67 123.15 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 154' ' ' SER . 2.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.8 130.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -127.2 116.85 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -122.59 155.3 36.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.99 172.37 16.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.0 m-85 -126.31 31.51 5.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -135.37 137.75 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.46 121.38 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.2 mt 64.83 33.41 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.41 -24.74 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 124.02 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 134.03 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -134.13 149.64 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.72 96.81 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 p -123.12 125.21 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.94 115.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.3 m -132.19 144.69 50.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 123.26 32.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -70.77 174.59 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -87.53 161.18 46.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.2 Cg_endo -69.8 -30.1 22.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.22 -22.47 57.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.16 -179.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.5 p -150.59 -38.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.811 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.06 179.65 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.8 m -111.3 156.64 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.79 147.13 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.515 HG23 ' HE ' ' A' ' 149' ' ' ARG . 51.7 m -149.09 94.14 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 130' ' ' THR . 8.1 ttm180 -125.63 116.97 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 p -149.84 162.45 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -69.01 168.46 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.7 t -145.34 169.14 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.3 p -118.09 10.7 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -171.99 93.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.6 t -68.17 100.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.084 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.87 92.11 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.13 148.83 21.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 p -150.03 157.67 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.6 p -150.72 170.79 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.811 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 70.1 m-85 -120.82 31.99 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.48 138.62 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.11 122.04 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 mt 56.92 37.22 28.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.6 p -52.01 -24.52 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.95 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -121.45 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -132.3 146.34 51.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.94 79.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -103.38 121.25 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 23.6 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.41 120.55 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.5 m -134.76 147.97 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 122.41 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 74.4 m -68.97 176.38 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 22.5 mttt -86.39 161.34 48.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.72 -28.83 24.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -75.14 -27.61 59.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.84 179.69 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 67.6 p -151.22 -38.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -123.99 179.1 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.5 m -112.16 163.5 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.5 ttt -133.22 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.1 m -140.38 135.94 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -109.56 111.77 23.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.2 p -137.37 158.76 43.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 26.9 m -68.14 166.26 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.7 t -148.03 168.57 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.5 p -118.48 7.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.99 90.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.03 109.57 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.2 107.71 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -111.13 107.97 17.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.3 p -114.9 154.93 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.531 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -150.08 171.19 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.8 m-85 -121.93 31.56 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -135.41 138.64 43.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.24 124.31 19.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 54.92 37.49 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.2 p -50.65 -25.0 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 124.79 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -133.47 131.32 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.24 167.69 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -76.72 105.64 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -136.72 123.91 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.728 0.299 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.81 121.42 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 m -134.83 143.88 47.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.89 124.65 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.7 m -71.84 178.79 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.3 mmtt -88.26 161.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.679 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.72 -29.18 24.49 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.07 -25.34 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.21 -178.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 57.8 p -150.76 -39.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.775 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -127.47 179.6 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.3 m -110.87 165.99 11.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.7 ttp -136.75 152.15 50.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.469 HG23 ' CD ' ' A' ' 149' ' ' ARG . 1.7 m -140.9 152.81 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.735 0.302 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.469 ' CD ' HG23 ' A' ' 130' ' ' THR . 13.9 ttt-85 -124.52 122.39 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.3 p -141.29 156.15 45.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 55.7 m -68.35 168.19 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.6 t -149.61 167.79 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.5 p -117.04 8.13 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.32 92.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.4 t -68.37 112.56 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 156' ' ' VAL . 8.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 mp -90.88 135.43 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.39 115.25 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -119.16 155.32 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.529 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.1 p -150.14 165.67 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.775 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 22.7 m-85 -119.35 31.38 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -136.4 137.55 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.43 120.78 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.13 35.34 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.81 -24.12 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.9 125.02 25.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.24 128.1 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.2 m -133.73 165.78 24.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -76.12 113.42 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 p -144.43 126.87 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.98 132.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.3 m -139.08 144.45 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 123.23 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 73.9 m -73.33 176.19 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.9 mttt -86.72 161.18 48.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.73 -30.01 23.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.76 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -69.28 -177.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.3 p -151.29 -38.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -131.5 178.85 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.1 m -112.42 163.28 14.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttm -133.12 148.99 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.438 HG23 ' CD ' ' A' ' 149' ' ' ARG . 2.0 m -137.09 158.88 43.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.438 ' CD ' HG23 ' A' ' 130' ' ' THR . 11.0 ttt-85 -129.9 125.09 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -145.79 154.27 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.7 m -68.26 166.51 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.39 168.98 22.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.1 p -117.34 8.5 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.11 93.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.73 114.73 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.03 124.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.42 117.39 28.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.7 p -120.5 152.19 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -149.86 161.55 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.5 m-85 -116.19 31.2 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -135.85 135.71 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.4 121.89 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.16 36.72 21.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.4 p -47.49 -27.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 123.38 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.23 139.77 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.45 166.94 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.34 72.91 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.79 0.328 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.92 114.72 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.8 m -134.89 144.5 47.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -89.8 125.62 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.9 m -72.65 175.9 5.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.2 mtmm -82.5 161.29 59.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.81 -28.86 24.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.66 -23.08 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.94 -179.6 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.7 p -150.1 -41.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.61 -177.0 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 m -116.54 166.96 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -132.77 147.25 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 87.7 m -138.32 130.37 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -113.7 123.01 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.4 171.1 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.0 165.86 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.4 t -150.21 140.45 22.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -93.88 16.02 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -171.48 94.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.2 t -66.99 111.96 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 124.12 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -135.59 107.48 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.65 161.06 14.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.467 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 5.0 p -156.83 166.94 31.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.777 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.0 m-85 -120.85 28.48 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 137.54 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.43 122.18 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 63.55 33.81 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.17 -25.65 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 126.44 29.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -138.17 136.78 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 m -133.35 173.71 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -84.4 74.49 10.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -106.49 129.45 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 24.3 mt -65.58 107.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.2 m -126.39 144.43 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.77 124.02 34.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 81.3 m -68.92 174.95 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 3.6 mttt -84.6 161.42 53.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.75 -29.23 24.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.95 -27.76 61.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.32 -179.2 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.3 p -151.03 -39.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -121.22 -177.3 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.14 162.39 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.9 ttm -133.27 155.73 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 m -150.13 139.12 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.764 0.316 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.25 126.18 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.3 p -147.26 150.8 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.42 165.33 19.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.9 t -150.21 166.54 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.6 p -109.64 15.07 23.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -172.97 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.59 113.27 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.89 104.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -98.72 154.72 17.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.7 p -150.52 167.53 26.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 6.2 p -166.67 172.1 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.761 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 29.0 m-85 -123.29 29.56 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.11 139.41 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 124.34 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 3.3 mt 59.48 34.31 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.7 p -51.29 -25.02 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 126.26 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -122.75 125.86 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -129.51 146.56 51.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -70.22 88.5 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 p -119.16 123.99 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.771 0.32 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.02 115.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -121.79 144.6 48.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.44 122.45 31.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.0 m -80.23 179.68 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.589 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.5 OUTLIER -87.36 163.82 37.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.6 Cg_endo -69.71 -27.86 26.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -84.47 145.1 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 p -127.43 -16.07 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.766 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.55 164.47 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 35.2 m -109.04 165.32 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.17 145.67 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.436 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -137.64 147.26 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HG3' HG23 ' A' ' 130' ' ' THR . 13.4 ttt-85 -118.84 132.92 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.64 167.98 24.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.67 161.1 28.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.1 t -150.46 163.42 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.6 p -116.82 14.27 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -171.82 94.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.3 105.36 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.05 128.27 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -116.44 112.46 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.7 p -120.04 157.47 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.51 173.46 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.766 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 27.0 m-85 -123.96 31.56 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -137.69 137.87 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.85 123.34 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.53 37.76 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 -23.84 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 123.8 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -120.68 131.18 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.2 m -126.19 152.8 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -75.43 70.32 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -98.6 128.4 44.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.75 0.309 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.58 114.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.5 m -132.75 145.25 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.88 124.13 33.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 94.2 m -75.32 -178.51 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.539 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -87.72 162.01 43.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.75 -28.29 25.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -74.77 -21.21 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.74 179.59 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 69.8 p -150.34 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -131.59 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.0 m -112.72 164.06 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.9 ttp -132.92 153.29 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 49.3 m -145.49 132.98 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.25 127.59 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.2 169.94 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.7 m -75.56 160.06 30.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.1 t -144.6 145.41 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 93.9 p -101.86 12.87 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -171.73 93.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.66 101.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.1 mt -104.1 105.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.36 155.79 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -150.55 157.47 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.2 p -151.04 166.11 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.487 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.4 m-85 -118.78 30.1 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -133.17 138.5 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 121.14 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.5 mt 60.75 36.87 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.3 p -51.12 -24.8 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 126.12 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 137.53 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.82 76.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.06 119.98 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.4 m -132.34 145.59 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -88.92 124.25 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 95.8 m -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.6 mttt -85.21 163.64 44.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.73 -28.7 25.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -72.23 -27.72 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.12 144.91 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -128.87 -11.42 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -133.73 164.69 26.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.1 m -109.12 166.46 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.6 ttp -135.48 151.75 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 79.5 m -139.61 110.94 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.7 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.75 133.99 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.68 171.09 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.77 161.84 20.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.5 t -150.39 157.12 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -110.34 17.19 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -174.23 95.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.72 100.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 168' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.321 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.7 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.73 154.22 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.6 p -150.97 159.55 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.56 173.96 15.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.8 m-85 -124.11 33.39 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 138.91 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.9 123.73 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.25 36.13 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.5 p -50.92 -25.23 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 123.81 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -119.95 131.74 55.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -129.82 150.77 50.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.64 70.19 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -98.12 124.69 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.5 mt -67.59 117.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.1 m -132.64 147.96 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -88.79 122.2 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 98.4 m -73.35 177.96 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.5 mttm -85.53 161.66 50.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.83 -28.88 24.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.56 -27.04 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.08 173.74 10.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -149.36 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -120.01 172.33 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.3 m -111.57 159.74 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttt -132.21 142.15 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.4 m -138.74 130.75 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.798 0.332 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -106.15 130.35 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.0 m -147.88 155.65 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 14.8 m -68.51 163.22 23.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.8 t -149.91 170.26 19.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.78 11.09 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -169.74 92.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.94 110.71 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.58 90.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.77 111.83 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 8.7 p -122.85 153.74 39.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' CYS . . . . . 0.487 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.1 p -150.65 174.19 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.2 30.71 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -136.36 138.77 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.8 125.19 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 mt 51.82 38.66 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.1 p -49.37 -26.02 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.2 tpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 125.38 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.82 135.79 53.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.8 m -134.42 141.65 46.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -70.36 81.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.5 p -114.08 131.02 56.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.7 p -82.08 -175.62 5.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -69.63 -74.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -129.29 161.62 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 92.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.637 ' O ' HG13 ' A' ' 146' ' ' VAL . 4.4 mmt -125.95 -176.03 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.2 p -94.4 22.21 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.7 p -54.68 157.59 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.61 -19.42 55.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.21 108.0 5.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -113.45 32.09 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.534 HH22 HG21 ' A' ' 147' ' ' VAL . 60.3 mmt-85 -124.57 88.8 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.1 m -112.9 144.2 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.93 110.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -129.03 147.66 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -88.63 121.14 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.0 m -68.55 178.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.526 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -87.52 160.94 46.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.78 -30.74 21.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -27.36 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.48 175.87 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.3 p -147.31 -36.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -125.31 175.69 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.81 162.0 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.1 154.52 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.487 HG23 ' HD2' ' A' ' 149' ' ' ARG . 2.0 m -148.11 138.73 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 m -117.75 103.42 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -96.19 135.26 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.616 ' N ' HD13 ' A' ' 132' ' ' LEU . 4.2 m -148.89 95.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.92 177.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.93 -48.75 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 38.7 41.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -170.95 108.49 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -70.53 -28.34 64.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -117.44 71.29 6.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.64 0.733 . . . . 0.0 110.917 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 80.04 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -99.51 -27.48 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -89.21 -47.17 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -139.74 162.51 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.2 t -124.17 153.34 68.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 111.56 2.85 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 110' ' ' MET . 47.4 t -147.09 120.39 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 132' ' ' LEU . 16.6 m -97.75 169.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 57.8 p -150.23 124.94 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' HD2' HG23 ' A' ' 130' ' ' THR . 18.0 ttt-85 -116.26 127.4 54.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 m -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.3 m -68.57 167.2 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.8 t -149.96 167.57 26.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -116.95 10.15 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.44 108.17 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 27.7 m -150.53 126.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.66 125.11 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.5 t -141.25 114.93 8.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -139.91 81.29 19.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.76 21.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.05 -62.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.45 21.18 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.72 -21.02 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 152.0 38.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.54 37.24 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.63 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -144.04 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.46 147.28 23.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.5 mt -123.56 98.28 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.85 151.56 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.8 p -151.3 155.59 39.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.74 163.65 38.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -117.66 29.81 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.04 138.09 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.64 124.27 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.6 mt 53.12 39.67 29.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.1 p -45.83 -29.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -154.65 130.34 9.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.6 p -102.03 9.31 40.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -68.88 137.16 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 181' ' ' LEU . 6.6 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.77 124.15 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.42 130.67 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.0 m -129.85 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -69.73 84.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -117.08 126.95 53.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.7 p -81.89 -174.26 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -69.29 -76.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -132.11 161.11 64.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.8 mtt -123.58 152.21 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 t -53.01 -27.93 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 p -54.65 118.96 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.45 -167.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.642 ' HA ' HD21 ' A' ' 181' ' ' LEU . 5.1 p 57.1 33.19 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.29 56.05 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -145.87 100.01 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.1 m -123.19 150.09 43.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.05 106.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.8 m -120.51 146.07 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.74 123.89 33.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 75.7 m -74.14 175.08 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.7 mttt -85.55 161.55 50.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.713 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.81 -28.5 24.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.67 -25.48 59.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -73.14 178.65 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 45.5 p -151.08 -38.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -122.42 178.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.07 163.03 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -131.4 156.65 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.641 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -146.18 152.11 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.6 m -131.67 106.92 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 147' ' ' VAL . 8.2 mp -125.82 166.34 17.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.8 91.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.93 25.92 5.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 137' ' ' ALA . 7.6 p -109.32 138.07 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -130.8 23.85 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.486 ' H ' HG22 ' A' ' 135' ' ' VAL . . . -87.73 -33.3 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -165.41 159.46 17.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -145.8 157.43 51.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.696 0.76 . . . . 0.0 110.927 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -74.08 -27.03 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.62 176.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -140.72 170.8 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.8 p 46.26 73.53 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.57 9.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.238 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 18.5 m -125.33 145.7 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 132' ' ' LEU . 28.0 m -86.77 158.28 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 29.0 p -147.05 144.7 29.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -128.26 130.38 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.4 p -146.4 153.25 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.18 164.07 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 41.1 t -148.77 171.37 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -118.68 12.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.25 95.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.63 116.56 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 m -150.46 -177.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 158' ' ' THR . . . -139.61 118.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -161.8 125.44 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.62 110.4 43.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.83 22.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.68 -29.26 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.73 20.64 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.62 -21.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 105.71 104.58 2.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.58 34.49 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -76.16 -17.52 59.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -158.99 102.13 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.66 105.78 3.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mt -100.5 108.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.37 153.1 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.29 158.23 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.453 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.8 p -157.52 165.81 34.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 23.3 m-85 -118.69 31.22 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.4 mpp_? -134.39 138.41 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.41 124.0 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 55.53 37.83 29.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -50.2 -25.19 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -142.04 118.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 30.6 t -100.32 -13.81 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.65 145.77 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 114' ' ' SER . 2.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 124.41 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -121.42 136.62 54.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.5 m -133.79 148.19 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -73.06 76.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -106.7 128.8 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.3 p -82.56 179.03 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -69.88 -76.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.28 161.57 38.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.4 Cg_endo -69.75 68.77 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 0.0 112.324 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.51 ' HA ' HG21 ' A' ' 146' ' ' VAL . 15.0 ptm 178.62 80.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.8 p -112.86 123.48 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.2 -72.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -174.1 144.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 43.9 t -70.68 83.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' CD ' HD12 ' A' ' 181' ' ' LEU . 83.5 mtm180 -141.31 100.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.7 m -150.1 129.3 12.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.37 120.66 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.2 m -135.41 147.49 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 123.28 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -72.86 178.51 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.536 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.6 mtmt -86.71 161.44 47.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.1 Cg_endo -69.7 -29.29 24.4 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.04 -27.82 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.17 172.51 11.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.0 p -147.31 -33.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -122.52 171.22 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -109.39 159.92 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.7 ttt -131.31 148.54 52.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.3 m -143.48 122.28 12.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.47 112.4 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.581 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.5 tt -129.84 121.6 27.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.72 ' HB ' HG22 ' A' ' 135' ' ' VAL . 15.9 m -124.13 -40.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 53.33 33.18 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.72 HG22 ' HB ' ' A' ' 133' ' ' VAL . 34.1 m -131.52 175.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -143.7 128.52 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -92.96 -12.89 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -139.81 161.2 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -122.51 71.7 38.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -173.95 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -70.14 -26.37 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -140.36 129.41 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.8 161.45 13.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.7 m -160.15 72.88 3.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 110' ' ' MET . 22.8 t -125.72 150.15 30.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 132' ' ' LEU . 15.5 m -96.37 158.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.43 HG22 ' HB3' ' A' ' 109' ' ' PRO . 66.3 p -123.24 109.62 14.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -104.89 132.36 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 77.3 p -150.05 153.63 36.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.0 m -68.58 165.96 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.17 164.72 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -114.99 9.28 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -168.67 92.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.42 106.04 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.31 123.06 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -73.11 118.68 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.2 p -92.86 42.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -161.54 81.78 1.93 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.73 21.8 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.92 -65.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 57.95 20.86 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 72.1 mt -90.26 -20.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.66 -16.26 10.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.57 37.65 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -75.56 -18.82 59.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.529 ' HA ' HG12 ' A' ' 133' ' ' VAL . 16.1 m80 -159.38 97.0 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.67 104.44 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 52.4 mt -98.35 96.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -91.37 148.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.1 p -150.55 155.78 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.422 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -149.73 169.27 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.483 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -120.87 32.73 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -137.68 138.56 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.68 125.36 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.1 mt 51.96 38.68 24.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.5 p -48.85 -26.16 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -153.99 142.12 20.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 28.3 p -99.06 -1.12 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.53 144.41 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 124.18 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -119.97 128.51 53.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.5 m -129.31 147.65 51.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.12 76.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 p -99.72 119.32 37.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p -85.28 162.13 19.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -100.18 -18.82 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -114.77 77.75 4.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.446 ' CB ' HG22 ' A' ' 148' ' ' THR . 53.8 Cg_endo -69.77 106.34 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.724 ' CG ' ' HB2' ' A' ' 113' ' ' ALA . 20.1 ptt? -172.58 -172.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.2 m -83.03 137.65 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.9 t 67.12 11.36 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.724 ' HB2' ' CG ' ' A' ' 110' ' ' MET . . . -80.61 -7.54 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.47 ' HA ' HD21 ' A' ' 181' ' ' LEU . 91.9 p 47.02 73.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.408 ' H ' HD21 ' A' ' 181' ' ' LEU . 7.8 t -64.08 89.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -150.36 88.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -149.79 124.11 9.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.34 119.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -131.33 146.46 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 122.72 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -78.01 177.36 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.585 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.1 mttt -84.66 163.63 45.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.34 -28.6 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.04 146.43 27.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -129.44 -15.85 3.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.767 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.46 162.94 26.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 56.9 m -104.46 167.32 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 144.24 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -134.38 160.96 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 m -132.96 125.28 29.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.743 ' HA ' HG12 ' A' ' 147' ' ' VAL . 5.0 mp -135.71 166.29 23.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 166' ' ' ALA . 4.8 m -132.27 91.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.718 HG23 ' HG ' ' A' ' 168' ' ' LEU . 0.7 OUTLIER -48.76 162.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.85 -24.39 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -51.51 149.98 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.65 102.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -94.74 -42.95 8.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.0 68.46 71.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 126.51 13.38 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -169.07 110.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.4 t30 52.31 29.25 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.32 146.07 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 64.8 m -136.49 154.24 76.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 80.25 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.0 m -118.04 145.54 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 132' ' ' LEU . 28.0 m -137.72 158.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.446 HG22 ' CB ' ' A' ' 109' ' ' PRO . 71.4 p -150.91 170.39 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -151.1 130.99 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.5 p -146.29 158.3 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.8 m -69.49 161.19 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -150.3 157.24 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 p -106.72 15.81 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -176.05 99.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -67.13 102.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.3 t -147.86 149.44 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.52 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.503 HG22 ' HD3' ' A' ' 160' ' ' PRO . 23.5 m -161.13 124.78 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -144.66 82.53 10.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.503 ' HD3' HG22 ' A' ' 158' ' ' THR . 53.9 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -68.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 10.6 p 53.37 36.2 22.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 49.8 mm -69.9 -22.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 164.08 90.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.52 28.77 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.593 ' HA ' HG12 ' A' ' 133' ' ' VAL . . . -100.3 40.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 17.38 22.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.718 ' HG ' HG23 ' A' ' 134' ' ' THR . 2.4 mm? -89.94 77.52 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.4 mm -90.96 134.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -126.38 112.45 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -116.94 158.66 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -155.6 172.24 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.767 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 28.0 m-85 -123.33 33.52 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -136.25 137.89 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.48 121.16 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.8 mt 60.51 36.46 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -52.23 -24.17 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.06 115.77 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 4.7 p -100.67 3.78 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -98.18 166.68 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.47 HD21 ' HA ' ' A' ' 114' ' ' SER . 6.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.2 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 127.97 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 129.65 29.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 169.75 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.54 84.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -122.09 132.23 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.0 p -80.88 172.78 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -69.6 -47.23 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -151.75 159.97 32.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 83.3 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.483 ' O ' HG11 ' A' ' 146' ' ' VAL . 3.8 mmm -89.22 165.49 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 93.6 m -51.09 -30.46 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.0 m -65.42 113.05 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.21 60.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.645 ' O ' HD21 ' A' ' 181' ' ' LEU . 1.9 m -51.79 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 51.1 t 48.22 72.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -147.49 100.18 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.0 m -146.9 146.78 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.12 108.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.3 m -125.88 143.21 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -92.47 125.49 37.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -73.44 177.43 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.3 OUTLIER -86.85 161.83 46.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.2 Cg_endo -69.72 -29.41 24.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -26.09 60.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.78 -178.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.0 p -151.14 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -127.71 177.75 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 72.0 m -111.66 161.46 16.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.6 ttp -130.62 155.65 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.4 OUTLIER -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.2 m -123.78 117.93 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.69 ' HA ' HG12 ' A' ' 147' ' ' VAL . 2.9 tt -126.73 148.64 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.599 ' N ' HD23 ' A' ' 132' ' ' LEU . 2.7 t -143.37 95.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.45 HG22 ' CD2' ' A' ' 132' ' ' LEU . 5.1 t -134.38 120.25 19.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.56 135.58 23.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -116.43 -25.27 7.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.59 -29.93 63.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.55 176.99 8.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -90.64 153.69 45.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.685 0.755 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 78.5 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.293 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -160.13 106.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -169.13 177.95 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -76.12 -176.29 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.3 m -51.21 109.08 1.21 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 88.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 110' ' ' MET . 21.6 t -142.42 135.06 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.69 HG12 ' HA ' ' A' ' 132' ' ' LEU . 18.7 m -87.07 165.19 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.9 p -150.82 130.7 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.619 ' HG3' HG23 ' A' ' 130' ' ' THR . 10.8 ttt-85 -116.69 132.17 56.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.0 m -148.41 149.69 32.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.46 165.09 17.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.1 t -149.18 164.39 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.9 p -112.11 8.93 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -170.43 95.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.32 108.74 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.39 136.32 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.65 109.12 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.4 p -100.82 87.8 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.82 80.07 26.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.14 -74.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.3 p 61.94 16.73 8.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.84 -22.84 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -122.05 -14.33 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.19 33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.53 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -159.07 95.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.37 125.06 41.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.2 mp -116.07 102.33 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -95.37 154.36 17.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.3 p -151.75 158.46 43.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.4 p -154.94 166.41 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.01 29.77 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -134.35 135.9 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.88 121.41 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.74 34.15 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.0 p -49.51 -24.54 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -138.39 140.7 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 18.0 m -99.7 -65.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.02 -179.97 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 114' ' ' SER . 14.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 125.12 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -114.2 134.79 54.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.6 m -133.95 140.55 46.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -71.44 77.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.9 p -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.2 p -81.15 162.92 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -95.09 34.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -150.87 152.85 32.58 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.59 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -21.43 66.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -51.05 -31.92 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -83.97 145.67 28.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.17 -76.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.5 p -64.71 171.73 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 53.4 t -176.13 79.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -144.4 99.17 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -150.35 134.62 17.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.64 118.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 144.98 50.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.27 123.37 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 71.3 m -71.6 175.88 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -85.37 161.17 52.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.29 24.13 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.01 -25.43 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.23 -179.81 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.7 p -150.48 -38.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -125.87 178.9 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.7 m -113.8 163.09 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.8 ttp -133.23 155.98 48.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.516 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -150.06 127.94 11.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m -107.43 99.2 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.623 ' HA ' HG12 ' A' ' 147' ' ' VAL . 1.9 pt? -123.12 175.24 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 m -147.41 89.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.839 HG23 HG23 ' A' ' 135' ' ' VAL . 5.5 t -83.48 -26.97 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.839 HG23 HG23 ' A' ' 134' ' ' THR . 23.1 t -118.81 149.55 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -117.71 122.89 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.86 30.0 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -161.41 165.06 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -116.83 69.96 4.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.03 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -91.86 -26.87 18.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -138.56 160.09 40.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -82.47 -44.07 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.8 p 46.37 71.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.97 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.82 149.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 132' ' ' LEU . 33.5 m -150.89 161.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p -145.07 106.72 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 130' ' ' THR . 19.8 ttt-85 -98.75 125.29 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 59.7 p -145.45 155.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -68.52 166.85 16.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -148.91 170.65 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 p -119.17 9.85 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.27 92.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.16 112.02 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 156' ' ' VAL . 15.9 m -150.53 118.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.71 133.38 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 32.9 m -98.66 91.32 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -144.97 80.1 11.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -87.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -89.18 -3.97 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 64.47 22.27 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 32.8 mm -77.27 -21.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -105.54 -83.91 1.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.5 36.37 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.81 -15.43 63.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -148.45 109.63 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 113.96 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.05 93.23 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.424 ' CD1' HD21 ' A' ' 132' ' ' LEU . 9.1 m-85 -89.69 150.4 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.59 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.7 p -151.81 167.58 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 24.9 m-85 -120.2 27.15 8.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -129.79 139.03 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.67 121.87 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.2 mt 57.95 37.76 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.6 p -48.76 -27.0 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -167.74 136.67 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 7.9 p -100.56 -5.14 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.68 119.76 14.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.585 ' C ' HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 124.25 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -117.46 128.3 54.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.9 m -131.62 146.22 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -70.07 87.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -118.63 124.13 46.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 17.7 p -83.67 172.55 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -94.69 -43.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -101.28 102.99 23.42 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.488 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.4 Cg_endo -69.77 107.54 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.594 ' HA ' HG21 ' A' ' 146' ' ' VAL . 5.0 ptm -156.94 -178.97 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.924 HG23 HG12 ' A' ' 146' ' ' VAL . 0.8 OUTLIER -84.39 84.69 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -152.71 137.74 17.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.89 -11.21 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.538 ' HA ' HD11 ' A' ' 181' ' ' LEU . 52.1 p -95.02 24.93 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -99.56 51.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.79 93.96 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 150.16 39.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 47.9 mt -66.99 105.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 m -120.58 145.01 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.73 124.35 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 63.0 m -80.08 169.63 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.0 mtmm -69.55 163.32 60.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.7 -27.39 26.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -79.02 -28.32 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.57 142.81 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 p -129.63 -11.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -131.27 161.73 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.2 m -105.18 165.48 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 154.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 149' ' ' ARG . 2.2 m -146.99 153.09 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -129.57 107.41 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' HA ' HG12 ' A' ' 147' ' ' VAL . 42.8 mt -115.99 147.43 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.06 86.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.2 t -122.6 125.28 45.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.7 t -145.39 145.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.7 119.99 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.81 101.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.5 -33.52 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -99.81 160.54 27.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.746 0.784 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -95.34 -57.86 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -146.61 162.7 37.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -99.81 -40.38 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.89 156.51 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.68 0.752 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -170.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.924 HG12 HG23 ' A' ' 111' ' ' THR . 17.5 m -101.6 165.78 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 132' ' ' LEU . 32.8 m -78.97 155.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 109' ' ' PRO . 6.8 p -155.37 131.59 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.499 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -114.43 122.71 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.1 p -140.13 156.22 46.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.93 163.62 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -149.35 162.05 40.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.8 p -111.77 14.73 21.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -172.62 94.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.91 104.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.26 142.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.76 127.85 34.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.9 p -139.87 112.49 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -139.74 82.11 18.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.54 21.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.655 2.236 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.438 ' OD2' HD12 ' A' ' 163' ' ' ILE . 5.9 t0 -69.73 -58.28 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.94 20.48 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.438 HD12 ' OD2' ' A' ' 161' ' ' ASP . 64.1 mt -85.98 -21.93 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.38 36.43 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.51 33.78 6.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.16 77.2 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.0 109.45 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -107.26 108.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -101.39 148.76 24.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.6 p -151.34 159.35 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -155.91 170.66 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.661 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.8 m-85 -122.04 32.78 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.64 137.83 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.0 123.58 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.8 mt 57.27 36.97 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -49.58 -24.58 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -138.26 174.5 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.1 t -177.12 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.97 -13.44 62.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 114' ' ' SER . 12.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 123.73 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mppt? -115.34 130.01 56.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -129.43 143.57 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.83 76.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.4 p -106.73 128.92 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.92 153.73 26.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 22.76 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -150.67 67.82 8.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.752 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 74.18 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -179.89 121.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 m 50.37 35.18 10.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.8 p -99.91 108.33 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.3 -8.65 59.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 72.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.697 ' H ' HD21 ' A' ' 181' ' ' LEU . 41.9 t -86.18 80.92 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -142.98 98.48 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.2 m -145.13 132.24 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.26 113.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 55.1 m -128.93 145.4 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.15 122.19 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 82.2 m -71.38 176.69 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -85.73 161.09 51.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -29.79 23.33 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.5 -25.36 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -71.31 179.36 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.1 p -150.92 -38.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.726 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -124.06 176.81 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.9 m -112.53 161.57 16.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -132.3 154.31 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -145.59 127.53 15.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 165' ' ' ALA . 96.0 m -100.5 111.45 23.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 133' ' ' VAL . 2.6 tm? -118.14 136.15 53.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.703 ' N ' HD13 ' A' ' 132' ' ' LEU . 4.1 m -148.45 95.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.1 p -51.12 129.83 24.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 137' ' ' ALA . 13.3 m -56.83 -23.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 58.03 29.67 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.501 ' H ' HG23 ' A' ' 135' ' ' VAL . . . -162.03 103.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -95.53 28.89 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -113.64 159.92 33.77 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.649 0.737 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.77 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.67 -59.5 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -131.22 105.65 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -143.17 128.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 m -174.89 72.52 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.86 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.8 t -129.19 148.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.887 HG21 HD22 ' A' ' 181' ' ' LEU . 13.7 m -145.33 176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.7 p -153.81 107.91 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.454 HH21 ' ND2' ' A' ' 178' ' ' ASN . 26.0 ttt-85 -102.35 125.96 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.0 p -143.79 154.23 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 25.9 m -68.39 166.52 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.3 t -149.97 169.57 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.0 p -118.5 12.47 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -171.91 93.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.48 106.03 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 156' ' ' VAL . 14.2 m -150.55 115.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 158' ' ' THR . . . -71.77 122.32 20.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 157' ' ' ALA . 1.3 p -155.75 118.47 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.19 85.4 2.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.652 0.739 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -87.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.29 -34.43 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' A' ' 166' ' ' ALA . 1.2 t 59.18 19.75 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.4 mm -87.29 -21.13 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.34 59.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 131' ' ' THR . . . 50.37 31.82 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 162' ' ' SER . . . -94.27 43.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -87.12 -78.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.3 88.6 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 166' ' ' ALA . 45.2 mm -97.26 95.44 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -89.88 151.6 21.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -151.1 156.53 41.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.443 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.3 p -151.44 167.37 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.726 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 20.1 m-85 -120.28 26.56 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -130.21 138.1 50.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.09 120.04 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.2 mt 60.53 38.01 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.8 p -47.62 -28.1 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' ND2' HH21 ' A' ' 149' ' ' ARG . 1.0 OUTLIER -161.87 135.27 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 8.5 t -101.51 -11.37 19.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.38 151.38 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.887 HD22 HG21 ' A' ' 147' ' ' VAL . 12.2 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 125.47 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -123.56 134.19 53.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.6 m -133.38 148.0 51.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.49 80.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -108.64 126.02 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.4 p -82.69 -176.06 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -74.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.35 161.14 34.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 127.96 15.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.19 161.69 22.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.677 ' OG1' HG12 ' A' ' 146' ' ' VAL . 26.8 m -96.98 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 p -52.85 -53.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.61 103.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -51.79 113.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 47.8 t -75.39 73.08 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -139.45 95.06 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -146.3 131.53 18.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.18 117.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.0 m -130.48 146.38 52.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -87.92 122.62 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.6 m -73.74 176.62 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -85.01 163.75 44.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.82 -27.67 25.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -76.61 -27.84 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -81.53 145.41 30.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.2 p -126.58 -19.76 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -127.11 167.04 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 75.7 m -107.9 165.12 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.9 ttp -134.65 152.83 52.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.421 ' CG2' HD21 ' A' ' 132' ' ' LEU . 85.5 m -144.82 127.33 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.3 m -104.81 112.26 25.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.652 ' HA ' HG12 ' A' ' 147' ' ' VAL . 8.7 mt -127.34 170.22 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.79 103.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 43.1 p -120.6 160.45 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.6 t -121.7 147.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -52.56 -46.14 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.87 93.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -159.75 164.6 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -142.01 136.78 15.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.757 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -87.02 -50.84 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -89.73 -69.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -146.15 164.2 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.4 p -124.33 156.27 67.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 0.0 110.811 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.677 HG12 ' OG1' ' A' ' 111' ' ' THR . 18.2 m -128.15 161.23 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 132' ' ' LEU . 16.1 m -116.06 171.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 147' ' ' VAL . 2.8 p -156.29 114.7 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.81 123.61 47.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.5 m -145.29 156.77 44.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.2 m -69.19 165.94 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.5 t -150.38 149.96 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -98.36 14.73 27.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 p -174.72 98.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.5 t -67.15 101.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 22.3 t -148.6 151.23 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.57 167.27 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.6 p -100.2 -176.71 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -75.5 160.35 79.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.538 0.685 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.68 16.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.621 2.214 . . . . 0.0 112.411 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.97 -48.53 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' A' ' 166' ' ' ALA . 1.0 OUTLIER 55.03 30.25 13.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.01 -20.9 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -119.66 58.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.72 33.81 8.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 162' ' ' SER . . . -95.38 47.24 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -87.58 -78.3 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.04 74.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 166' ' ' ALA . 47.4 mm -90.63 93.59 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -95.07 152.37 18.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.55 157.84 43.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -152.86 172.45 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 4.0 m-85 -123.74 33.48 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -136.27 138.07 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.03 122.22 13.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.6 mt 58.56 37.84 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.2 p -54.18 -20.36 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -136.38 -175.56 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 20.1 p -175.17 79.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -140.44 173.73 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 147' ' ' VAL . 6.5 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 122.94 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 135.17 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.58 166.94 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -77.82 76.3 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -102.97 122.71 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.5 p -84.09 161.51 20.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -100.29 18.46 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.4 160.92 32.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -165.27 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.558 ' H ' HG23 ' A' ' 146' ' ' VAL . 19.6 ttt -61.86 -16.26 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.8 t -49.55 -29.44 6.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 m -73.41 166.23 23.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.0 -68.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.694 ' HA ' HD11 ' A' ' 181' ' ' LEU . 11.4 p -131.41 109.2 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.717 ' N ' HD21 ' A' ' 181' ' ' LEU . 28.3 t -65.89 88.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -150.08 100.78 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -150.22 131.24 14.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.12 114.51 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.4 m -132.48 144.63 50.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.47 125.01 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.6 m -73.17 -179.08 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 24.3 mmtt -88.96 162.89 36.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.83 -27.92 25.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.48 -25.59 54.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -86.98 147.57 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.1 p -126.23 -20.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -126.54 167.12 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.1 m -108.55 166.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -139.1 154.6 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.478 HG23 ' HG3' ' A' ' 149' ' ' ARG . 4.1 m -147.99 138.43 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.02 122.51 47.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.667 ' HA ' HG12 ' A' ' 147' ' ' VAL . 0.4 OUTLIER -125.41 134.26 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.615 ' N ' HD13 ' A' ' 132' ' ' LEU . 2.9 m -148.5 80.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.455 HG22 ' CD1' ' A' ' 132' ' ' LEU . 15.3 t -129.77 147.08 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.8 t 51.36 45.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 177.43 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.24 93.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -167.73 163.83 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.97 68.85 6.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.661 0.743 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.98 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -85.72 -25.88 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.34 149.25 47.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.2 p -175.46 74.35 0.29 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.712 0.767 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.558 HG23 ' H ' ' A' ' 110' ' ' MET . 4.6 p -137.3 120.04 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' ' 132' ' ' LEU . 26.9 m -81.64 158.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 147' ' ' VAL . 0.8 OUTLIER -163.08 121.92 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' HG3' HG23 ' A' ' 130' ' ' THR . 1.4 ttt180 -107.97 116.46 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.6 p -141.49 156.58 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.5 m -68.38 164.06 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.9 t -150.43 149.34 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.1 p -95.95 11.36 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 156' ' ' VAL . 3.2 p -169.78 96.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -66.67 123.15 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 154' ' ' SER . 2.8 t -138.67 162.59 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 156' ' ' VAL . . . -138.28 141.43 39.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.662 ' OG1' ' HB1' ' A' ' 166' ' ' ALA . 27.4 p -100.13 -165.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.81 160.22 29.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.509 ' CB ' HG23 ' A' ' 163' ' ' ILE . 2.5 m-20 -67.95 -42.06 81.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.713 ' HA ' ' HB3' ' A' ' 166' ' ' ALA . 1.0 OUTLIER 56.89 24.77 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.509 HG23 ' CB ' ' A' ' 161' ' ' ASP . 1.5 pp -68.99 -21.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -129.67 69.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.59 33.94 6.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 162' ' ' SER . . . -99.22 67.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -69.46 -169.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.67 88.03 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.8 130.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -127.2 116.85 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -122.59 155.3 36.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.99 172.37 16.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.0 m-85 -126.31 31.51 5.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -135.37 137.75 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.46 121.38 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.2 mt 64.83 33.41 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.41 -24.74 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -146.16 123.48 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -94.52 -34.9 12.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -70.0 165.7 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.717 HD21 ' N ' ' A' ' 115' ' ' CYS . 12.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 124.02 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 134.03 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -134.13 149.64 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.72 96.81 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 p -123.12 125.21 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.14 166.8 18.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -70.32 -40.5 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -144.05 160.43 49.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.79 4.73 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.613 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -123.68 106.34 10.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.5 m -73.39 -17.76 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 p -103.0 -46.0 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -71.54 -178.07 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.816 ' HA ' HD11 ' A' ' 181' ' ' LEU . 23.0 m -107.78 100.3 9.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 37.1 t -67.61 85.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -147.81 101.8 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.89 134.25 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.94 115.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.3 m -132.19 144.69 50.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 123.26 32.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -70.77 174.59 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -87.53 161.18 46.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.2 Cg_endo -69.8 -30.1 22.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.22 -22.47 57.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.16 -179.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.5 p -150.59 -38.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.811 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.06 179.65 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.8 m -111.3 156.64 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.79 147.13 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.515 HG23 ' HE ' ' A' ' 149' ' ' ARG . 51.7 m -149.09 94.14 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -89.94 131.37 35.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.788 ' HA ' HG21 ' A' ' 147' ' ' VAL . 2.0 pt? -149.5 176.3 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 166' ' ' ALA . 4.1 m -146.26 93.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.437 HG23 HD12 ' A' ' 132' ' ' LEU . 75.7 p -111.21 -175.68 2.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 135' ' ' VAL . 12.4 p 40.09 37.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -152.04 135.72 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.17 48.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.81 147.59 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.4 66.85 6.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.726 0.774 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -168.44 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.647 2.232 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.61 -77.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -167.46 101.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.474 ' HB3' ' HD2' ' A' ' 145' ' ' PRO . 0.7 OUTLIER -135.75 160.21 68.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.702 0.763 . . . . 0.0 110.868 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 144' ' ' SER . 53.6 Cg_endo -69.78 -161.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.96 129.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.794 ' O ' HG23 ' A' ' 148' ' ' THR . 13.7 m -59.61 -171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.794 HG23 ' O ' ' A' ' 147' ' ' VAL . 0.5 OUTLIER 178.0 -179.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 130' ' ' THR . 8.1 ttm180 -125.63 116.97 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 p -149.84 162.45 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -69.01 168.46 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.7 t -145.34 169.14 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.3 p -118.09 10.7 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -171.99 93.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.6 t -68.17 100.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.9 t -149.94 139.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.06 115.9 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 28.6 m -99.95 80.07 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -142.6 80.15 14.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.691 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -7.84 22.08 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.63 -60.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.0 19.98 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.7 -24.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -124.75 -27.02 1.33 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.91 33.36 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 133' ' ' VAL . . . -77.12 -18.32 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -100.53 94.62 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.92 92.37 6.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.87 92.11 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.13 148.83 21.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 p -150.03 157.67 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.6 p -150.72 170.79 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.811 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 70.1 m-85 -120.82 31.99 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.48 138.62 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.11 122.04 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 mt 56.92 37.22 28.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.6 p -52.01 -24.52 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -143.72 122.48 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -99.43 -33.91 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.77 155.97 39.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 114' ' ' SER . 11.8 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.95 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -121.45 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -132.3 146.34 51.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.94 79.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -103.38 121.25 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.2 159.02 21.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -94.2 13.47 23.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -150.04 98.83 3.3 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.653 0.74 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.6 Cg_endo -69.75 93.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 ttt -158.7 166.6 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.706 HG23 ' HA ' ' A' ' 146' ' ' VAL . 0.7 OUTLIER -89.75 -31.66 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -62.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.08 127.09 31.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -60.91 109.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 35.8 t -72.66 80.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.568 ' HD3' HD11 ' A' ' 181' ' ' LEU . 16.0 mtp85 -143.89 96.79 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.7 m -150.14 124.3 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.41 120.55 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.5 m -134.76 147.97 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 122.41 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 74.4 m -68.97 176.38 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 22.5 mttt -86.39 161.34 48.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.72 -28.83 24.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -75.14 -27.61 59.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.84 179.69 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 67.6 p -151.22 -38.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -123.99 179.1 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.5 m -112.16 163.5 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.5 ttt -133.22 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.1 m -140.38 135.94 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.2 m -120.37 92.24 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 54.8 tp -95.85 146.19 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 133' ' ' VAL . 2.4 p -150.9 104.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 41.6 m -119.21 103.37 9.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.1 m -150.42 174.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.68 149.62 21.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.42 99.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.72 -12.36 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.56 74.85 2.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.14 34.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -87.04 -27.71 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -95.62 -20.9 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -139.77 163.06 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 p -172.86 74.72 0.42 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.83 26.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.706 ' HA ' HG23 ' A' ' 111' ' ' THR . 34.3 m -129.53 166.07 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 148' ' ' THR . 27.3 m -103.07 164.15 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.609 HG22 ' HB3' ' A' ' 109' ' ' PRO . 2.4 p -156.43 115.75 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -109.56 111.77 23.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.2 p -137.37 158.76 43.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 26.9 m -68.14 166.26 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.7 t -148.03 168.57 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.5 p -118.48 7.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.99 90.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.03 109.57 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.4 126.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.96 127.14 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.5 p -93.22 90.94 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 165' ' ' ALA . 7.5 t0 -141.75 80.64 15.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -86.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.402 ' OD2' HD11 ' A' ' 163' ' ' ILE . 10.1 t0 -82.57 -12.29 57.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 63.34 19.23 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.402 HD11 ' OD2' ' A' ' 161' ' ' ASP . 90.2 mt -75.47 -23.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -121.85 -86.08 0.83 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.422 ' HB2' ' OD1' ' A' ' 159' ' ' ASP . . . 51.38 38.68 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.94 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -100.36 107.37 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.81 105.79 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.2 107.71 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -111.13 107.97 17.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.3 p -114.9 154.93 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.531 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -150.08 171.19 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.8 m-85 -121.93 31.56 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -135.41 138.64 43.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.24 124.31 19.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 54.92 37.49 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.2 p -50.65 -25.0 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -149.6 127.96 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 56.4 p -100.76 -30.59 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.0 150.22 46.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 181' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 124.79 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -133.47 131.32 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.24 167.69 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -76.72 105.64 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -136.72 123.91 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 p -83.53 -175.78 5.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -29.28 14.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.66 156.95 56.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 127.29 14.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.576 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -162.68 85.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 145' ' ' PRO . 93.1 m -58.31 -52.75 64.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.0 t -51.21 -42.38 60.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -80.1 -168.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.733 ' HA ' HD12 ' A' ' 181' ' ' LEU . 3.8 p -75.05 -65.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.0 t 62.1 35.08 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -136.69 94.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -129.71 149.13 51.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.81 121.42 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 m -134.83 143.88 47.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.89 124.65 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.7 m -71.84 178.79 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.3 mmtt -88.26 161.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.679 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.72 -29.18 24.49 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.07 -25.34 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.21 -178.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 57.8 p -150.76 -39.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.775 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -127.47 179.6 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.3 m -110.87 165.99 11.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.7 ttp -136.75 152.15 50.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.469 HG23 ' CD ' ' A' ' 149' ' ' ARG . 1.7 m -140.9 152.81 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -130.05 92.44 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 132' ' ' LEU . 5.9 tt -106.13 133.51 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.72 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.4 m -121.48 15.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.0 m -47.17 -33.5 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.7 t -85.81 99.93 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 58.6 72.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 133' ' ' VAL . . . -96.58 -31.2 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -163.72 170.99 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -87.89 162.85 40.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.717 0.77 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -7.59 21.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -83.14 -9.47 59.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -176.24 107.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.2 142.42 27.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.3 p 179.79 66.05 0.14 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.685 ' HB2' HG21 ' A' ' 111' ' ' THR . 53.6 Cg_endo -69.8 153.98 68.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 146' ' ' VAL . 6.1 p -150.37 121.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 148' ' ' THR . 21.4 m -125.72 166.67 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 147' ' ' VAL . 1.4 p -158.56 138.39 12.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.469 ' CD ' HG23 ' A' ' 130' ' ' THR . 13.9 ttt-85 -124.52 122.39 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.3 p -141.29 156.15 45.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 55.7 m -68.35 168.19 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.6 t -149.61 167.79 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.5 p -117.04 8.13 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.32 92.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.4 t -68.37 112.56 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 156' ' ' VAL . 8.2 m -150.36 111.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.55 124.48 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 94.1 m -94.1 90.53 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -151.22 80.45 6.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -86.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.4 -9.5 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 63.56 20.1 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.7 mt -71.95 -21.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -107.28 -77.02 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.19 37.12 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.79 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -143.14 103.37 4.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.08 109.79 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 mp -90.88 135.43 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.39 115.25 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -119.16 155.32 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.529 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.1 p -150.14 165.67 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.775 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 22.7 m-85 -119.35 31.38 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -136.4 137.55 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.43 120.78 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.13 35.34 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.81 -24.12 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -138.16 172.89 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.2 t -177.77 98.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.39 -77.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 114' ' ' SER . 23.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.9 125.02 25.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.24 128.1 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.2 m -133.73 165.78 24.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -76.12 113.42 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 p -144.43 126.87 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.85 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -71.66 -76.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -106.73 156.11 37.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -4.68 14.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.4 tpt -89.21 -24.66 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.3 p -52.25 102.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.73 -20.54 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -50.25 -56.43 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.428 ' HA ' HD21 ' A' ' 181' ' ' LEU . 78.4 p -173.11 107.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 47.2 t -104.18 71.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -143.99 41.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -94.4 138.51 32.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.98 132.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.3 m -139.08 144.45 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 123.23 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 73.9 m -73.33 176.19 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.9 mttt -86.72 161.18 48.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.73 -30.01 23.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.76 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -69.28 -177.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.3 p -151.29 -38.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -131.5 178.85 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.1 m -112.42 163.28 14.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttm -133.12 148.99 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.438 HG23 ' CD ' ' A' ' 149' ' ' ARG . 2.0 m -137.09 158.88 43.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.4 96.55 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 147' ' ' VAL . 0.2 OUTLIER -102.58 127.92 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 135' ' ' VAL . 14.5 p -117.59 -26.93 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.1 m -51.06 103.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 133' ' ' VAL . 48.7 t -135.13 146.81 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -51.42 113.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.39 103.45 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.9 -16.55 63.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -113.8 73.83 2.34 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.68 0.752 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 79.08 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -88.46 -28.76 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -73.37 128.06 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -95.9 34.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.2 t -61.29 153.07 70.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.708 0.766 . . . . 0.0 110.806 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 147' ' ' VAL . 6.1 t -90.11 157.74 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 132' ' ' LEU . 35.5 m -49.79 155.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.6 p -144.39 139.38 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.438 ' CD ' HG23 ' A' ' 130' ' ' THR . 11.0 ttt-85 -129.9 125.09 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -145.79 154.27 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.7 m -68.26 166.51 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.39 168.98 22.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.1 p -117.34 8.5 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.11 93.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.73 114.73 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.5 m -149.49 124.11 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.65 113.01 6.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.6 t -100.54 71.61 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.76 95.08 8.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.458 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 53.2 Cg_endo -69.78 -78.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.458 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 0.9 OUTLIER -69.47 -59.72 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 t 57.79 22.17 8.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.1 mt -73.89 -21.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.09 -18.32 20.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.12 35.54 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.04 -17.33 63.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -156.13 148.66 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.69 123.12 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.03 124.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.42 117.39 28.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.7 p -120.5 152.19 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -149.86 161.55 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.5 m-85 -116.19 31.2 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -135.85 135.71 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.4 121.89 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.16 36.72 21.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.4 p -47.49 -27.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -141.86 -167.85 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -173.21 92.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.15 165.49 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 114' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 123.38 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.23 139.77 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.45 166.94 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.34 72.91 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 p -81.92 -175.83 5.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.66 -66.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.54 161.4 49.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 90.27 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.7 ttt -111.07 175.81 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.0 t -51.22 -30.17 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.3 p -53.99 109.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 181' ' ' LEU . . . -75.12 -6.55 50.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m -70.94 -75.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 41.0 t 51.11 81.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -150.26 102.02 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m -149.72 135.07 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.92 114.72 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.8 m -134.89 144.5 47.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -89.8 125.62 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.9 m -72.65 175.9 5.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.2 mtmm -82.5 161.29 59.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.81 -28.86 24.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.66 -23.08 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.94 -179.6 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.7 p -150.1 -41.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.61 -177.0 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 m -116.54 166.96 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -132.77 147.25 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 87.7 m -138.32 130.37 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 m -117.88 98.1 6.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 133' ' ' VAL . 3.4 tm? -95.45 139.69 31.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.664 ' N ' HD13 ' A' ' 132' ' ' LEU . 2.4 p -150.87 103.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 135' ' ' VAL . 0.7 OUTLIER -85.38 165.34 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 134' ' ' THR . 38.7 t -52.76 -30.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -53.77 120.83 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.17 105.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.97 -21.96 63.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -113.85 73.91 2.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.33 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -98.56 -28.96 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -139.73 128.54 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -94.09 105.43 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.0 t 178.38 68.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 91.3 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.99 141.83 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 181' ' ' LEU . 31.5 m -100.23 168.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.3 p -148.19 119.74 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -113.7 123.01 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.4 171.1 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.0 165.86 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.4 t -150.21 140.45 22.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -93.88 16.02 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -171.48 94.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.2 t -66.99 111.96 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.53 -174.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.61 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 17.3 p -70.62 -164.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.25 157.79 88.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.81 21.99 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 p 61.98 16.64 8.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.19 81.07 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 160.8 -41.13 0.43 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.64 35.06 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.11 -20.81 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -160.97 94.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.32 108.5 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 124.12 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -135.59 107.48 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.65 161.06 14.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.467 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 5.0 p -156.83 166.94 31.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.777 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.0 m-85 -120.85 28.48 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 137.54 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.43 122.18 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 63.55 33.81 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.17 -25.65 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -143.9 121.07 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 -52.71 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.48 172.64 8.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 147' ' ' VAL . 12.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 126.44 29.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -138.17 136.78 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 m -133.35 173.71 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -84.4 74.49 10.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -106.49 129.45 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p -80.8 -177.36 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -69.3 -48.75 60.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -151.99 157.61 34.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.298 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.481 ' CA ' HG11 ' A' ' 146' ' ' VAL . 3.5 tpt -156.08 140.68 16.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 111' ' ' THR . 5.2 t -57.36 120.21 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.0 t -148.04 -175.42 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.47 48.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -179.17 123.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.17 42.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.36 91.48 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 m -122.94 140.87 52.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 24.3 mt -65.58 107.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.2 m -126.39 144.43 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.77 124.02 34.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 81.3 m -68.92 174.95 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 3.6 mttt -84.6 161.42 53.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.75 -29.23 24.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.95 -27.76 61.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.32 -179.2 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.3 p -151.03 -39.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -121.22 -177.3 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.14 162.39 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.9 ttm -133.27 155.73 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 m -150.13 139.12 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.0 m -116.51 109.66 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.602 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.8 tp -113.45 145.99 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 166' ' ' ALA . 1.6 p -150.73 103.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.1 103.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.32 -26.08 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.41 -27.51 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.85 71.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -98.61 -179.89 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -103.23 159.76 28.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 109.59 2.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -100.77 -155.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -116.98 -6.79 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.27 -24.34 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.9 t 61.92 73.76 0.54 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.5 40.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.481 HG11 ' CA ' ' A' ' 110' ' ' MET . 14.0 p -145.4 149.7 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 132' ' ' LEU . 15.8 m -66.79 160.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.7 p -144.05 120.8 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.25 126.18 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.3 p -147.26 150.8 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.42 165.33 19.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.9 t -150.21 166.54 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.6 p -109.64 15.07 23.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -172.97 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.59 113.27 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 157' ' ' ALA . 8.5 p -144.85 160.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 158' ' ' THR . . . -138.74 134.16 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -159.9 116.8 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.02 88.67 3.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 158' ' ' THR . 53.6 Cg_endo -69.75 -8.06 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 -72.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.46 20.6 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.69 -21.87 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 172.16 34.0 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.06 36.65 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 133' ' ' VAL . . . -69.71 -16.8 63.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -149.72 137.15 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.12 125.48 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.89 104.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -98.72 154.72 17.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.7 p -150.52 167.53 26.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 6.2 p -166.67 172.1 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.761 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 29.0 m-85 -123.29 29.56 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.11 139.41 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 124.34 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 3.3 mt 59.48 34.31 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.7 p -51.29 -25.02 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -146.66 178.35 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.8 91.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.72 148.14 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 126.26 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -122.75 125.86 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -129.51 146.56 51.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -70.22 88.5 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 p -119.16 123.99 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.51 179.17 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.02 -77.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -106.7 159.13 30.96 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.74 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 125.36 12.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.453 ' HG3' ' HB3' ' A' ' 113' ' ' ALA . 2.2 ptm -175.05 129.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.7 p -86.63 -31.01 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -52.41 -47.47 66.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' HB3' ' HG3' ' A' ' 110' ' ' MET . . . -79.72 -177.83 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -104.23 93.15 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.23 69.3 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -141.24 53.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -103.13 132.48 49.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.02 115.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -121.79 144.6 48.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.44 122.45 31.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.0 m -80.23 179.68 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.589 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.5 OUTLIER -87.36 163.82 37.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.6 Cg_endo -69.71 -27.86 26.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -84.47 145.1 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 p -127.43 -16.07 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.766 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.55 164.47 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 35.2 m -109.04 165.32 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.17 145.67 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.436 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -137.64 147.26 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m -122.41 110.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 132' ' ' LEU . 5.4 tt -153.12 152.53 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.536 HG13 ' H ' ' A' ' 134' ' ' THR . 0.2 OUTLIER -139.76 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.536 ' H ' HG13 ' A' ' 133' ' ' VAL . 2.4 t 34.93 66.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.472 HG13 HG23 ' A' ' 133' ' ' VAL . 16.9 m -107.52 -179.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -84.85 141.51 30.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -162.59 103.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -71.21 -24.71 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -117.9 68.92 6.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.704 0.764 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.73 45.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -100.13 24.28 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 40.33 42.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -22.87 63.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.7 m 62.48 68.61 1.01 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.731 0.777 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.62 41.39 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.7 t -149.85 139.66 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 148' ' ' THR . 24.4 m -84.75 157.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 147' ' ' VAL . 5.5 p -155.47 130.69 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HG3' HG23 ' A' ' 130' ' ' THR . 13.4 ttt-85 -118.84 132.92 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.64 167.98 24.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.67 161.1 28.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.1 t -150.46 163.42 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.6 p -116.82 14.27 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -171.82 94.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.3 105.36 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.17 145.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.33 121.42 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.0 119.26 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 6.1 t0 -103.36 96.21 8.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.6 Cg_endo -69.78 -8.06 22.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.553 ' OD2' HD12 ' A' ' 163' ' ' ILE . 15.1 t0 -72.35 -30.0 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 62.39 18.29 10.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.553 HD12 ' OD2' ' A' ' 161' ' ' ASP . 68.4 mt -99.26 -22.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 98.96 102.21 2.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.62 36.69 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 163' ' ' ILE . . . -85.23 -12.18 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -158.39 108.77 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.31 125.04 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.05 128.27 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -116.44 112.46 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.7 p -120.04 157.47 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.51 173.46 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.766 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 27.0 m-85 -123.96 31.56 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -137.69 137.87 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.85 123.34 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.53 37.76 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 -23.84 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.47 140.2 39.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 5.2 t -100.96 24.83 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -99.91 168.24 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 181' ' ' LEU . 6.6 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 123.8 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -120.68 131.18 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.2 m -126.19 152.8 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -75.43 70.32 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -98.6 128.4 44.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.2 p -81.79 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -87.18 -15.79 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.83 72.64 16.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 81.8 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' THR . 3.5 ttm -175.09 129.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' MET . 9.4 t 37.49 42.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.2 m -99.29 110.22 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.64 -13.79 61.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -116.55 -71.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 43.9 t 50.94 82.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -150.03 101.6 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -146.16 134.17 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.58 114.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.5 m -132.75 145.25 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.88 124.13 33.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 94.2 m -75.32 -178.51 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.539 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -87.72 162.01 43.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.75 -28.29 25.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -74.77 -21.21 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.74 179.59 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 69.8 p -150.34 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -131.59 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.0 m -112.72 164.06 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.9 ttp -132.92 153.29 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 49.3 m -145.49 132.98 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.52 112.16 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.685 ' HA ' HG12 ' A' ' 147' ' ' VAL . 5.4 tt -122.39 144.54 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.598 ' N ' HD23 ' A' ' 132' ' ' LEU . 4.2 m -143.0 91.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 132' ' ' LEU . 1.1 p -105.09 20.44 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.02 143.6 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -116.63 -25.97 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.19 -75.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.06 146.22 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.26 135.77 25.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.696 0.76 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -86.14 -26.06 25.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -123.0 164.1 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 152.42 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.2 p 62.95 157.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 141.56 45.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.56 143.77 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 132' ' ' LEU . 28.2 m -139.94 159.74 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.1 p -145.31 125.92 14.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.25 127.59 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.2 169.94 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.7 m -75.56 160.06 30.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.1 t -144.6 145.41 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 93.9 p -101.86 12.87 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -171.73 93.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.66 101.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 10.3 m -150.56 119.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 158' ' ' THR . . . -69.86 115.61 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -161.46 115.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.82 159.96 50.88 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -86.6 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.97 -25.6 24.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 86.4 p 49.11 89.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 60.9 mt -100.04 -21.92 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.48 28.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 52.03 36.11 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 133' ' ' VAL . . . -80.63 -15.67 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -100.0 89.37 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 105.79 7.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.1 mt -104.1 105.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.36 155.79 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -150.55 157.47 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.2 p -151.04 166.11 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.487 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.4 m-85 -118.78 30.1 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -133.17 138.5 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 121.14 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.5 mt 60.75 36.87 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.3 p -51.12 -24.8 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -139.52 112.38 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 12.4 t -100.88 -59.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.45 124.51 24.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 126.12 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 137.53 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.82 76.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 p -82.26 146.1 29.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -72.59 -29.6 63.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -95.76 145.19 29.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -165.48 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.25 -21.51 24.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.0 p -48.44 -38.14 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 134.67 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 146' ' ' VAL . . . -81.16 179.76 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.552 ' HA ' HD21 ' A' ' 181' ' ' LEU . 0.9 OUTLIER 54.26 66.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 36.7 t -82.01 88.99 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.52 99.42 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.96 126.84 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.06 119.98 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.4 m -132.34 145.59 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -88.92 124.25 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 95.8 m -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.6 mttt -85.21 163.64 44.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.73 -28.7 25.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -72.23 -27.72 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.12 144.91 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -128.87 -11.42 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -133.73 164.69 26.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.1 m -109.12 166.46 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.6 ttp -135.48 151.75 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 79.5 m -139.61 110.94 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.766 HG23 ' HB1' ' A' ' 166' ' ' ALA . 86.7 m -88.99 115.59 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' A' ' 147' ' ' VAL . 21.8 tp -130.05 150.68 51.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 165' ' ' ALA . 1.8 p -150.26 103.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 135' ' ' VAL . 0.4 OUTLIER -107.1 166.12 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 134' ' ' THR . 85.3 t -115.57 -23.66 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 63.22 53.66 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -168.24 104.77 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.89 117.41 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -149.01 157.93 39.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.703 0.763 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -174.9 113.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -51.46 103.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -89.42 -21.91 22.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.2 t 63.4 70.66 0.7 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 103.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 113' ' ' ALA . 21.3 t -142.87 151.0 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 132' ' ' LEU . 18.5 m -129.27 149.18 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -111.29 102.12 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.75 133.99 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.68 171.09 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.77 161.84 20.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.5 t -150.39 157.12 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -110.34 17.19 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -174.23 95.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.72 100.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p -150.75 140.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.14 115.84 9.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -175.84 133.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.413 ' HB2' HD11 ' A' ' 169' ' ' ILE . 5.6 t70 -140.38 81.05 18.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -7.71 21.75 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.277 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -82.81 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.6 m 51.77 26.35 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.2 -21.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -128.8 28.33 4.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.49 ' HB3' HG21 ' A' ' 133' ' ' VAL . . . 50.68 35.92 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.766 ' HB1' HG23 ' A' ' 131' ' ' THR . . . -80.33 58.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.412 ' O ' HD12 ' A' ' 169' ' ' ILE . 70.9 m-70 -69.44 -22.14 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 168' ' ' LEU . 1.9 mm? -90.41 91.87 8.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 159' ' ' ASP . 2.3 mp -114.7 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.73 154.22 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.6 p -150.97 159.55 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.56 173.96 15.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.8 m-85 -124.11 33.39 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 138.91 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.9 123.73 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.25 36.13 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.5 p -50.92 -25.23 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -139.86 112.17 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.8 p -99.91 10.99 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.64 147.27 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 123.81 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -119.95 131.74 55.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -129.82 150.77 50.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.64 70.19 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -98.12 124.69 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p -83.21 168.26 16.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -99.9 -14.56 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -113.57 74.54 2.3 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.658 0.742 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' CB ' HG22 ' A' ' 148' ' ' THR . 54.0 Cg_endo -69.75 -3.55 12.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.67 -37.51 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -68.77 160.26 30.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.5 t -93.1 -3.39 54.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.53 166.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 100.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.02 88.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.8 mtp-105 -148.73 100.68 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.4 m -150.22 126.69 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.5 mt -67.59 117.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.1 m -132.64 147.96 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -88.79 122.2 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 98.4 m -73.35 177.96 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.5 mttm -85.53 161.66 50.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.83 -28.88 24.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.56 -27.04 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.08 173.74 10.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -149.36 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -120.01 172.33 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.3 m -111.57 159.74 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttt -132.21 142.15 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.4 m -138.74 130.75 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.2 m -108.68 107.01 17.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.644 HD23 ' N ' ' A' ' 133' ' ' VAL . 1.7 tt -105.67 155.47 19.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.644 ' N ' HD23 ' A' ' 132' ' ' LEU . 1.4 p -150.81 103.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -60.02 167.95 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 135' ' ' VAL . 8.1 p -90.1 12.23 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -94.87 31.36 1.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.58 74.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.92 -20.91 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -91.86 154.92 43.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 74.57 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 166' ' ' ALA . 5.1 t80 -100.17 -55.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -108.17 -173.52 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -99.51 -48.92 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.0 m -149.74 160.47 33.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.75 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.19 150.15 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.704 HG21 ' CD1' ' A' ' 181' ' ' LEU . 20.8 m -114.21 170.2 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.411 HG22 ' CB ' ' A' ' 109' ' ' PRO . 4.2 p -152.5 111.14 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -106.15 130.35 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.0 m -147.88 155.65 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 14.8 m -68.51 163.22 23.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.8 t -149.91 170.26 19.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.78 11.09 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -169.74 92.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.94 110.71 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 m -150.19 145.13 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -82.87 135.85 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 158' ' ' THR . 2.1 t -98.58 92.18 5.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -146.22 80.75 10.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.354 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -83.81 -5.45 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 64.78 19.61 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 80.0 mt -76.02 -21.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -137.54 -104.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.69 39.96 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 141' ' ' PHE . . . -69.28 -14.88 63.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -92.89 115.28 27.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.69 108.96 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.58 90.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.77 111.83 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 8.7 p -122.85 153.74 39.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' CYS . . . . . 0.487 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.1 p -150.65 174.19 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.2 30.71 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -136.36 138.77 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.8 125.19 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 mt 51.82 38.66 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.1 p -49.37 -26.02 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -143.25 120.87 11.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.84 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -139.6 150.43 45.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.704 ' CD1' HG21 ' A' ' 147' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.2 tpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 125.38 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.82 135.79 53.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.8 m -134.42 141.65 46.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -70.36 81.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.5 p -114.08 131.02 56.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.755 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.93 110.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -129.03 147.66 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -88.63 121.14 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.0 m -68.55 178.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.526 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -87.52 160.94 46.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.78 -30.74 21.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -27.36 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.48 175.87 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.3 p -147.31 -36.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -125.31 175.69 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.81 162.0 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.1 154.52 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.487 HG23 ' HD2' ' A' ' 149' ' ' ARG . 2.0 m -148.11 138.73 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.773 0.321 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' HD2' HG23 ' A' ' 130' ' ' THR . 18.0 ttt-85 -116.26 127.4 54.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 m -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.3 m -68.57 167.2 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.8 t -149.96 167.57 26.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -116.95 10.15 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.44 108.17 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.31 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.5 mt -123.56 98.28 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.85 151.56 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.8 p -151.3 155.59 39.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.74 163.65 38.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -117.66 29.81 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.04 138.09 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.64 124.27 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.6 mt 53.12 39.67 29.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.1 p -45.83 -29.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.77 124.15 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.42 130.67 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.0 m -129.85 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -69.73 84.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -117.08 126.95 53.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.05 106.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.8 m -120.51 146.07 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.74 123.89 33.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 75.7 m -74.14 175.08 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.7 mttt -85.55 161.55 50.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.713 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.81 -28.5 24.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.67 -25.48 59.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -73.14 178.65 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 45.5 p -151.08 -38.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -122.42 178.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.07 163.03 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -131.4 156.65 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.641 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -146.18 152.11 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -128.26 130.38 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.4 p -146.4 153.25 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.18 164.07 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 41.1 t -148.77 171.37 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -118.68 12.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.25 95.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.63 116.56 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mt -100.5 108.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.37 153.1 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.29 158.23 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.453 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.8 p -157.52 165.81 34.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 23.3 m-85 -118.69 31.22 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.4 mpp_? -134.39 138.41 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.41 124.0 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 55.53 37.83 29.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -50.2 -25.19 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 124.41 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -121.42 136.62 54.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.5 m -133.79 148.19 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -73.06 76.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -106.7 128.8 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.775 0.321 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.37 120.66 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.2 m -135.41 147.49 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 123.28 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -72.86 178.51 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.536 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.6 mtmt -86.71 161.44 47.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.1 Cg_endo -69.7 -29.29 24.4 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.04 -27.82 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.17 172.51 11.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.0 p -147.31 -33.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -122.52 171.22 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -109.39 159.92 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.7 ttt -131.31 148.54 52.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.3 m -143.48 122.28 12.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.76 0.314 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -104.89 132.36 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 77.3 p -150.05 153.63 36.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.0 m -68.58 165.96 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.17 164.72 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -114.99 9.28 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -168.67 92.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.42 106.04 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 52.4 mt -98.35 96.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -91.37 148.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.1 p -150.55 155.78 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.422 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -149.73 169.27 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.483 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -120.87 32.73 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -137.68 138.56 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.68 125.36 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.1 mt 51.96 38.68 24.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.5 p -48.85 -26.16 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 124.18 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -119.97 128.51 53.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.5 m -129.31 147.65 51.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.12 76.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 p -99.72 119.32 37.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.34 119.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -131.33 146.46 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 122.72 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -78.01 177.36 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.585 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.1 mttt -84.66 163.63 45.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.34 -28.6 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.04 146.43 27.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -129.44 -15.85 3.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.767 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.46 162.94 26.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 56.9 m -104.46 167.32 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 144.24 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -134.38 160.96 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.744 0.306 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -151.1 130.99 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.5 p -146.29 158.3 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.8 m -69.49 161.19 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -150.3 157.24 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 p -106.72 15.81 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -176.05 99.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -67.13 102.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.805 0.336 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.4 mm -90.96 134.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -126.38 112.45 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -116.94 158.66 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -155.6 172.24 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.767 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 28.0 m-85 -123.33 33.52 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -136.25 137.89 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.48 121.16 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.8 mt 60.51 36.46 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -52.23 -24.17 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.2 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 127.97 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 129.65 29.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 169.75 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.54 84.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -122.09 132.23 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.12 108.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.3 m -125.88 143.21 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -92.47 125.49 37.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -73.44 177.43 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.3 OUTLIER -86.85 161.83 46.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.2 Cg_endo -69.72 -29.41 24.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -26.09 60.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.78 -178.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.0 p -151.14 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -127.71 177.75 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 72.0 m -111.66 161.46 16.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.6 ttp -130.62 155.65 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.4 OUTLIER -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.807 0.337 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.619 ' HG3' HG23 ' A' ' 130' ' ' THR . 10.8 ttt-85 -116.69 132.17 56.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.0 m -148.41 149.69 32.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.46 165.09 17.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.1 t -149.18 164.39 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.9 p -112.11 8.93 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -170.43 95.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.32 108.74 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.2 mp -116.07 102.33 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -95.37 154.36 17.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.3 p -151.75 158.46 43.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.4 p -154.94 166.41 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.01 29.77 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -134.35 135.9 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.88 121.41 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.74 34.15 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.0 p -49.51 -24.54 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 125.12 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -114.2 134.79 54.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.6 m -133.95 140.55 46.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -71.44 77.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.9 p -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.64 118.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 144.98 50.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.27 123.37 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 71.3 m -71.6 175.88 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -85.37 161.17 52.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.29 24.13 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.01 -25.43 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.23 -179.81 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.7 p -150.48 -38.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -125.87 178.9 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.7 m -113.8 163.09 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.8 ttp -133.23 155.98 48.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.516 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -150.06 127.94 11.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 130' ' ' THR . 19.8 ttt-85 -98.75 125.29 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 59.7 p -145.45 155.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -68.52 166.85 16.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -148.91 170.65 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 p -119.17 9.85 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.27 92.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.16 112.02 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 156' ' ' VAL . 15.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.05 93.23 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -89.69 150.4 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.59 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.7 p -151.81 167.58 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 24.9 m-85 -120.2 27.15 8.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -129.79 139.03 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.67 121.87 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.2 mt 57.95 37.76 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.6 p -48.76 -27.0 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 124.25 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -117.46 128.3 54.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.9 m -131.62 146.22 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -70.07 87.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -118.63 124.13 46.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.728 0.299 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 47.9 mt -66.99 105.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 m -120.58 145.01 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.73 124.35 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 63.0 m -80.08 169.63 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.0 mtmm -69.55 163.32 60.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.7 -27.39 26.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -79.02 -28.32 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.57 142.81 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 p -129.63 -11.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -131.27 161.73 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.2 m -105.18 165.48 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 154.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 149' ' ' ARG . 2.2 m -146.99 153.09 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.499 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -114.43 122.71 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.1 p -140.13 156.22 46.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.93 163.62 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -149.35 162.05 40.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.8 p -111.77 14.73 21.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -172.62 94.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.91 104.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -107.26 108.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -101.39 148.76 24.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.6 p -151.34 159.35 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -155.91 170.66 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.661 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.8 m-85 -122.04 32.78 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.64 137.83 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.0 123.58 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.8 mt 57.27 36.97 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -49.58 -24.58 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 123.73 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mppt? -115.34 130.01 56.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -129.43 143.57 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.83 76.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.4 p -106.73 128.92 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.1 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.78 0.324 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.26 113.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 55.1 m -128.93 145.4 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.15 122.19 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 82.2 m -71.38 176.69 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -85.73 161.09 51.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -29.79 23.33 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.5 -25.36 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -71.31 179.36 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.1 p -150.92 -38.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.726 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -124.06 176.81 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.9 m -112.53 161.57 16.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -132.3 154.31 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -145.59 127.53 15.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.454 HH21 ' ND2' ' A' ' 178' ' ' ASN . 26.0 ttt-85 -102.35 125.96 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.0 p -143.79 154.23 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 25.9 m -68.39 166.52 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.3 t -149.97 169.57 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.0 p -118.5 12.47 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -171.91 93.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.48 106.03 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 156' ' ' VAL . 14.2 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.834 0.35 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -97.26 95.44 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -89.88 151.6 21.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -151.1 156.53 41.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.443 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.3 p -151.44 167.37 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.726 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 20.1 m-85 -120.28 26.56 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -130.21 138.1 50.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.09 120.04 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.2 mt 60.53 38.01 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.8 p -47.62 -28.1 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' ND2' HH21 ' A' ' 149' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 125.47 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -123.56 134.19 53.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.6 m -133.38 148.0 51.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.49 80.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -108.64 126.02 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.4 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.777 0.323 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.18 117.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.0 m -130.48 146.38 52.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -87.92 122.62 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.6 m -73.74 176.62 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -85.01 163.75 44.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.82 -27.67 25.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -76.61 -27.84 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -81.53 145.41 30.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.2 p -126.58 -19.76 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -127.11 167.04 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 75.7 m -107.9 165.12 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.9 ttp -134.65 152.83 52.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 85.5 m -144.82 127.33 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.81 123.61 47.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.5 m -145.29 156.77 44.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.2 m -69.19 165.94 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.5 t -150.38 149.96 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -98.36 14.73 27.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 p -174.72 98.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.5 t -67.15 101.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.63 93.59 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -95.07 152.37 18.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.55 157.84 43.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -152.86 172.45 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 4.0 m-85 -123.74 33.48 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -136.27 138.07 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.03 122.22 13.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.6 mt 58.56 37.84 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.2 p -54.18 -20.36 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 122.94 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 135.17 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.58 166.94 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -77.82 76.3 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -102.97 122.71 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.746 0.307 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.12 114.51 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.4 m -132.48 144.63 50.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.47 125.01 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.6 m -73.17 -179.08 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 24.3 mmtt -88.96 162.89 36.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.83 -27.92 25.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.48 -25.59 54.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -86.98 147.57 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.1 p -126.23 -20.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -126.54 167.12 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.1 m -108.55 166.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -139.1 154.6 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.478 HG23 ' HG3' ' A' ' 149' ' ' ARG . 4.1 m -147.99 138.43 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.478 ' HG3' HG23 ' A' ' 130' ' ' THR . 1.4 ttt180 -107.97 116.46 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.6 p -141.49 156.58 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.5 m -68.38 164.06 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.9 t -150.43 149.34 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.1 p -95.95 11.36 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 156' ' ' VAL . 3.2 p -169.78 96.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -66.67 123.15 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 154' ' ' SER . 2.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.8 130.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -127.2 116.85 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -122.59 155.3 36.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.99 172.37 16.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.0 m-85 -126.31 31.51 5.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -135.37 137.75 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.46 121.38 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.2 mt 64.83 33.41 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.41 -24.74 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 124.02 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 134.03 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -134.13 149.64 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.72 96.81 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 p -123.12 125.21 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.94 115.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.3 m -132.19 144.69 50.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 123.26 32.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -70.77 174.59 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -87.53 161.18 46.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.2 Cg_endo -69.8 -30.1 22.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.22 -22.47 57.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.16 -179.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.5 p -150.59 -38.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.811 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.06 179.65 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.8 m -111.3 156.64 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.79 147.13 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.515 HG23 ' HE ' ' A' ' 149' ' ' ARG . 51.7 m -149.09 94.14 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 130' ' ' THR . 8.1 ttm180 -125.63 116.97 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 p -149.84 162.45 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -69.01 168.46 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.7 t -145.34 169.14 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.3 p -118.09 10.7 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -171.99 93.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.6 t -68.17 100.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.084 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.87 92.11 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.13 148.83 21.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 p -150.03 157.67 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.6 p -150.72 170.79 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.811 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 70.1 m-85 -120.82 31.99 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.48 138.62 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.11 122.04 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 mt 56.92 37.22 28.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.6 p -52.01 -24.52 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.95 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -121.45 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -132.3 146.34 51.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.94 79.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -103.38 121.25 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 23.6 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.41 120.55 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.5 m -134.76 147.97 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 122.41 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 74.4 m -68.97 176.38 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 22.5 mttt -86.39 161.34 48.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.72 -28.83 24.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -75.14 -27.61 59.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.84 179.69 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 67.6 p -151.22 -38.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -123.99 179.1 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.5 m -112.16 163.5 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.5 ttt -133.22 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.1 m -140.38 135.94 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -109.56 111.77 23.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.2 p -137.37 158.76 43.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 26.9 m -68.14 166.26 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.7 t -148.03 168.57 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.5 p -118.48 7.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.99 90.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.03 109.57 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.2 107.71 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -111.13 107.97 17.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.3 p -114.9 154.93 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.531 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -150.08 171.19 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.8 m-85 -121.93 31.56 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -135.41 138.64 43.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.24 124.31 19.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 54.92 37.49 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.2 p -50.65 -25.0 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 124.79 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -133.47 131.32 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.24 167.69 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -76.72 105.64 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -136.72 123.91 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.728 0.299 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.81 121.42 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 m -134.83 143.88 47.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.89 124.65 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.7 m -71.84 178.79 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.3 mmtt -88.26 161.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.679 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.72 -29.18 24.49 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.07 -25.34 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.21 -178.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 57.8 p -150.76 -39.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.775 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -127.47 179.6 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.3 m -110.87 165.99 11.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.7 ttp -136.75 152.15 50.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.469 HG23 ' CD ' ' A' ' 149' ' ' ARG . 1.7 m -140.9 152.81 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.735 0.302 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.469 ' CD ' HG23 ' A' ' 130' ' ' THR . 13.9 ttt-85 -124.52 122.39 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.3 p -141.29 156.15 45.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 55.7 m -68.35 168.19 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.6 t -149.61 167.79 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.5 p -117.04 8.13 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.32 92.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.4 t -68.37 112.56 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 156' ' ' VAL . 8.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 mp -90.88 135.43 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.39 115.25 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -119.16 155.32 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.529 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.1 p -150.14 165.67 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.775 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 22.7 m-85 -119.35 31.38 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -136.4 137.55 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.43 120.78 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.13 35.34 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.81 -24.12 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.9 125.02 25.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.24 128.1 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.2 m -133.73 165.78 24.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -76.12 113.42 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 p -144.43 126.87 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.98 132.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.3 m -139.08 144.45 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 123.23 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 73.9 m -73.33 176.19 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.9 mttt -86.72 161.18 48.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.73 -30.01 23.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.76 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -69.28 -177.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.3 p -151.29 -38.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -131.5 178.85 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.1 m -112.42 163.28 14.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttm -133.12 148.99 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.438 HG23 ' CD ' ' A' ' 149' ' ' ARG . 2.0 m -137.09 158.88 43.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.438 ' CD ' HG23 ' A' ' 130' ' ' THR . 11.0 ttt-85 -129.9 125.09 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -145.79 154.27 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.7 m -68.26 166.51 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.39 168.98 22.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.1 p -117.34 8.5 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.11 93.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.73 114.73 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.03 124.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.42 117.39 28.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.7 p -120.5 152.19 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -149.86 161.55 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.5 m-85 -116.19 31.2 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -135.85 135.71 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.4 121.89 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.16 36.72 21.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.4 p -47.49 -27.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 123.38 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.23 139.77 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.45 166.94 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.34 72.91 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.79 0.328 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.92 114.72 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.8 m -134.89 144.5 47.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -89.8 125.62 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.9 m -72.65 175.9 5.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.2 mtmm -82.5 161.29 59.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.81 -28.86 24.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.66 -23.08 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.94 -179.6 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.7 p -150.1 -41.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.61 -177.0 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 m -116.54 166.96 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -132.77 147.25 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 87.7 m -138.32 130.37 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -113.7 123.01 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.4 171.1 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.0 165.86 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.4 t -150.21 140.45 22.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -93.88 16.02 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -171.48 94.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.2 t -66.99 111.96 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 124.12 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -135.59 107.48 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.65 161.06 14.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.467 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 5.0 p -156.83 166.94 31.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.777 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.0 m-85 -120.85 28.48 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 137.54 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.43 122.18 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 63.55 33.81 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.17 -25.65 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 126.44 29.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -138.17 136.78 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 m -133.35 173.71 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -84.4 74.49 10.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -106.49 129.45 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 24.3 mt -65.58 107.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.2 m -126.39 144.43 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.77 124.02 34.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 81.3 m -68.92 174.95 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 3.6 mttt -84.6 161.42 53.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.75 -29.23 24.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.95 -27.76 61.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.32 -179.2 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.3 p -151.03 -39.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -121.22 -177.3 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.14 162.39 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.9 ttm -133.27 155.73 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 m -150.13 139.12 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.764 0.316 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.25 126.18 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.3 p -147.26 150.8 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.42 165.33 19.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.9 t -150.21 166.54 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.6 p -109.64 15.07 23.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -172.97 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.59 113.27 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.89 104.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -98.72 154.72 17.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.7 p -150.52 167.53 26.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 6.2 p -166.67 172.1 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.761 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 29.0 m-85 -123.29 29.56 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.11 139.41 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 124.34 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 3.3 mt 59.48 34.31 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.7 p -51.29 -25.02 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 126.26 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -122.75 125.86 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -129.51 146.56 51.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -70.22 88.5 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 p -119.16 123.99 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.771 0.32 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.02 115.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -121.79 144.6 48.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.44 122.45 31.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.0 m -80.23 179.68 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.589 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.5 OUTLIER -87.36 163.82 37.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.6 Cg_endo -69.71 -27.86 26.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -84.47 145.1 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 p -127.43 -16.07 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.766 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.55 164.47 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 35.2 m -109.04 165.32 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.17 145.67 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.436 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -137.64 147.26 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HG3' HG23 ' A' ' 130' ' ' THR . 13.4 ttt-85 -118.84 132.92 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.64 167.98 24.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.67 161.1 28.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.1 t -150.46 163.42 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.6 p -116.82 14.27 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -171.82 94.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.3 105.36 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.05 128.27 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -116.44 112.46 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.7 p -120.04 157.47 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.51 173.46 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.766 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 27.0 m-85 -123.96 31.56 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -137.69 137.87 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.85 123.34 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.53 37.76 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 -23.84 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 123.8 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -120.68 131.18 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.2 m -126.19 152.8 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -75.43 70.32 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -98.6 128.4 44.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.75 0.309 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.58 114.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.5 m -132.75 145.25 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.88 124.13 33.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 94.2 m -75.32 -178.51 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.539 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -87.72 162.01 43.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.75 -28.29 25.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -74.77 -21.21 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.74 179.59 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 69.8 p -150.34 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -131.59 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.0 m -112.72 164.06 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.9 ttp -132.92 153.29 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 49.3 m -145.49 132.98 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.25 127.59 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.2 169.94 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.7 m -75.56 160.06 30.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.1 t -144.6 145.41 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 93.9 p -101.86 12.87 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -171.73 93.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.66 101.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.1 mt -104.1 105.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.36 155.79 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -150.55 157.47 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.2 p -151.04 166.11 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.487 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.4 m-85 -118.78 30.1 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -133.17 138.5 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 121.14 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.5 mt 60.75 36.87 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.3 p -51.12 -24.8 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 126.12 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 137.53 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.82 76.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.06 119.98 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.4 m -132.34 145.59 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -88.92 124.25 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 95.8 m -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.6 mttt -85.21 163.64 44.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.73 -28.7 25.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -72.23 -27.72 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.12 144.91 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -128.87 -11.42 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -133.73 164.69 26.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.1 m -109.12 166.46 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.6 ttp -135.48 151.75 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 79.5 m -139.61 110.94 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.7 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.75 133.99 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.68 171.09 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.77 161.84 20.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.5 t -150.39 157.12 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -110.34 17.19 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -174.23 95.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.72 100.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 168' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.321 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.7 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.73 154.22 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.6 p -150.97 159.55 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.56 173.96 15.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.8 m-85 -124.11 33.39 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 138.91 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.9 123.73 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.25 36.13 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.5 p -50.92 -25.23 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 123.81 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -119.95 131.74 55.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -129.82 150.77 50.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.64 70.19 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -98.12 124.69 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.5 mt -67.59 117.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.1 m -132.64 147.96 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -88.79 122.2 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 98.4 m -73.35 177.96 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.5 mttm -85.53 161.66 50.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.83 -28.88 24.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.56 -27.04 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.08 173.74 10.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -149.36 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -120.01 172.33 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.3 m -111.57 159.74 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttt -132.21 142.15 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.4 m -138.74 130.75 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.798 0.332 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -106.15 130.35 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.0 m -147.88 155.65 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 14.8 m -68.51 163.22 23.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.8 t -149.91 170.26 19.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.78 11.09 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -169.74 92.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.94 110.71 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.58 90.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.77 111.83 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 8.7 p -122.85 153.74 39.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . 0.487 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.1 p -150.65 174.19 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.2 30.71 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -136.36 138.77 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.8 125.19 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 mt 51.82 38.66 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.1 p -49.37 -26.02 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.2 tpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 125.38 26.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.82 135.79 53.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.8 m -134.42 141.65 46.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -70.36 81.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.5 p -114.08 131.02 56.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.7 p -82.08 -175.62 5.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -69.63 -74.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -129.29 161.62 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 92.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.637 ' O ' HG13 ' A' ' 146' ' ' VAL . 4.4 mmt -125.95 -176.03 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.2 p -94.4 22.21 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.7 p -54.68 157.59 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.61 -19.42 55.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.21 108.0 5.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -113.45 32.09 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.534 HH22 HG21 ' A' ' 147' ' ' VAL . 60.3 mmt-85 -124.57 88.8 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.1 m -112.9 144.2 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.93 110.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -129.03 147.66 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -88.63 121.14 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.0 m -68.55 178.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.526 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.7 OUTLIER -87.52 160.94 46.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.78 -30.74 21.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -27.36 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.48 175.87 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.3 p -147.31 -36.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -125.31 175.69 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.81 162.0 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.1 154.52 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.487 HG23 ' HD2' ' A' ' 149' ' ' ARG . 2.0 m -148.11 138.73 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.1 m -117.75 103.42 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -96.19 135.26 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.616 ' N ' HD13 ' A' ' 132' ' ' LEU . 4.2 m -148.89 95.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.92 177.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.93 -48.75 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 38.7 41.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -170.95 108.49 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -70.53 -28.34 64.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -117.44 71.29 6.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.64 0.733 . . . . 0.0 110.917 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 80.04 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -99.51 -27.48 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -89.21 -47.17 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.74 162.51 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.2 t -124.17 153.34 68.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 111.56 2.85 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 110' ' ' MET . 47.4 t -147.09 120.39 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 132' ' ' LEU . 16.6 m -97.75 169.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 57.8 p -150.23 124.94 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' HD2' HG23 ' A' ' 130' ' ' THR . 18.0 ttt-85 -116.26 127.4 54.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 m -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.3 m -68.57 167.2 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.8 t -149.96 167.57 26.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -116.95 10.15 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.44 108.17 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 27.7 m -150.53 126.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.66 125.11 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.5 t -141.25 114.93 8.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -139.91 81.29 19.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.76 21.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.05 -62.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.45 21.18 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.72 -21.02 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 152.0 38.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.54 37.24 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.63 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -144.04 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.46 147.28 23.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.5 mt -123.56 98.28 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.85 151.56 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.8 p -151.3 155.59 39.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.5 p -150.74 163.65 38.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -117.66 29.81 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.04 138.09 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.64 124.27 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.6 mt 53.12 39.67 29.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.1 p -45.83 -29.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -154.65 130.34 9.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.6 p -102.03 9.31 40.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -68.88 137.16 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 181' ' ' LEU . 6.6 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.77 124.15 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.42 130.67 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.0 m -129.85 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -69.73 84.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -117.08 126.95 53.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.7 p -81.89 -174.26 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -69.29 -76.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -132.11 161.11 64.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.8 mtt -123.58 152.21 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.0 t -53.01 -27.93 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 p -54.65 118.96 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.45 -167.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.642 ' HA ' HD21 ' A' ' 181' ' ' LEU . 5.1 p 57.1 33.19 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.29 56.05 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -145.87 100.01 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.1 m -123.19 150.09 43.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.05 106.06 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.8 m -120.51 146.07 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.74 123.89 33.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.882 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 75.7 m -74.14 175.08 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.7 mttt -85.55 161.55 50.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.713 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.81 -28.5 24.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.67 -25.48 59.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -73.14 178.65 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 45.5 p -151.08 -38.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -122.42 178.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.07 163.03 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -131.4 156.65 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.641 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -146.18 152.11 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.6 m -131.67 106.92 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 147' ' ' VAL . 8.2 mp -125.82 166.34 17.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.8 91.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.93 25.92 5.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 137' ' ' ALA . 7.6 p -109.32 138.07 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -130.8 23.85 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.486 ' H ' HG22 ' A' ' 135' ' ' VAL . . . -87.73 -33.3 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -165.41 159.46 17.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -145.8 157.43 51.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.696 0.76 . . . . 0.0 110.927 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -74.08 -27.03 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.62 176.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -140.72 170.8 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.8 p 46.26 73.53 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.57 9.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.238 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 18.5 m -125.33 145.7 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 132' ' ' LEU . 28.0 m -86.77 158.28 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 29.0 p -147.05 144.7 29.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -128.26 130.38 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.4 p -146.4 153.25 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.18 164.07 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 41.1 t -148.77 171.37 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.1 p -118.68 12.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.25 95.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.63 116.56 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 m -150.46 -177.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 158' ' ' THR . . . -139.61 118.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -161.8 125.44 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.62 110.4 43.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.83 22.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.68 -29.26 17.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.73 20.64 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.62 -21.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 105.71 104.58 2.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.58 34.49 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -76.16 -17.52 59.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -158.99 102.13 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.66 105.78 3.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mt -100.5 108.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.37 153.1 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.29 158.23 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.453 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.8 p -157.52 165.81 34.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 23.3 m-85 -118.69 31.22 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.4 mpp_? -134.39 138.41 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.41 124.0 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 55.53 37.83 29.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -50.2 -25.19 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -142.04 118.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 30.6 t -100.32 -13.81 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.65 145.77 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 114' ' ' SER . 2.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 124.41 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -121.42 136.62 54.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.5 m -133.79 148.19 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -73.06 76.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -106.7 128.8 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.3 p -82.56 179.03 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -69.88 -76.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.28 161.57 38.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.4 Cg_endo -69.75 68.77 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 0.0 112.324 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.51 ' HA ' HG21 ' A' ' 146' ' ' VAL . 15.0 ptm 178.62 80.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.8 p -112.86 123.48 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.2 -72.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -174.1 144.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 43.9 t -70.68 83.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' CD ' HD12 ' A' ' 181' ' ' LEU . 83.5 mtm180 -141.31 100.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.7 m -150.1 129.3 12.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.37 120.66 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.2 m -135.41 147.49 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 123.28 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -72.86 178.51 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.536 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.6 mtmt -86.71 161.44 47.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.1 Cg_endo -69.7 -29.29 24.4 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.04 -27.82 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.17 172.51 11.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.0 p -147.31 -33.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -122.52 171.22 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -109.39 159.92 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.7 ttt -131.31 148.54 52.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.3 m -143.48 122.28 12.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.47 112.4 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.581 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.5 tt -129.84 121.6 27.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.72 ' HB ' HG22 ' A' ' 135' ' ' VAL . 15.9 m -124.13 -40.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 53.33 33.18 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.72 HG22 ' HB ' ' A' ' 133' ' ' VAL . 34.1 m -131.52 175.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -143.7 128.52 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -92.96 -12.89 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -139.81 161.2 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -122.51 71.7 38.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -173.95 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -70.14 -26.37 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -140.36 129.41 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.8 161.45 13.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.7 m -160.15 72.88 3.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 110' ' ' MET . 22.8 t -125.72 150.15 30.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 132' ' ' LEU . 15.5 m -96.37 158.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.43 HG22 ' HB3' ' A' ' 109' ' ' PRO . 66.3 p -123.24 109.62 14.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -104.89 132.36 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 77.3 p -150.05 153.63 36.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.0 m -68.58 165.96 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.17 164.72 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -114.99 9.28 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -168.67 92.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.42 106.04 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.31 123.06 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -73.11 118.68 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.2 p -92.86 42.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -161.54 81.78 1.93 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.73 21.8 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.92 -65.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 57.95 20.86 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 72.1 mt -90.26 -20.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.66 -16.26 10.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.57 37.65 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -75.56 -18.82 59.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.529 ' HA ' HG12 ' A' ' 133' ' ' VAL . 16.1 m80 -159.38 97.0 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.67 104.44 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 52.4 mt -98.35 96.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -91.37 148.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.1 p -150.55 155.78 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.422 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -149.73 169.27 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.483 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.0 m-85 -120.87 32.73 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -137.68 138.56 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.68 125.36 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.1 mt 51.96 38.68 24.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.5 p -48.85 -26.16 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -153.99 142.12 20.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 28.3 p -99.06 -1.12 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.53 144.41 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 124.18 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -119.97 128.51 53.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.5 m -129.31 147.65 51.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.12 76.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 p -99.72 119.32 37.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p -85.28 162.13 19.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -100.18 -18.82 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -114.77 77.75 4.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.446 ' CB ' HG22 ' A' ' 148' ' ' THR . 53.8 Cg_endo -69.77 106.34 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.724 ' CG ' ' HB2' ' A' ' 113' ' ' ALA . 20.1 ptt? -172.58 -172.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.2 m -83.03 137.65 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.9 t 67.12 11.36 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.724 ' HB2' ' CG ' ' A' ' 110' ' ' MET . . . -80.61 -7.54 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.47 ' HA ' HD21 ' A' ' 181' ' ' LEU . 91.9 p 47.02 73.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.408 ' H ' HD21 ' A' ' 181' ' ' LEU . 7.8 t -64.08 89.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -150.36 88.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -149.79 124.11 9.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.34 119.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -131.33 146.46 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 122.72 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 89.1 m -78.01 177.36 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.585 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.1 mttt -84.66 163.63 45.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.34 -28.6 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.04 146.43 27.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -129.44 -15.85 3.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.767 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.46 162.94 26.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 56.9 m -104.46 167.32 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 144.24 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -134.38 160.96 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.7 m -132.96 125.28 29.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.743 ' HA ' HG12 ' A' ' 147' ' ' VAL . 5.0 mp -135.71 166.29 23.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 166' ' ' ALA . 4.8 m -132.27 91.52 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.718 HG23 ' HG ' ' A' ' 168' ' ' LEU . 0.7 OUTLIER -48.76 162.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.85 -24.39 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -51.51 149.98 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.65 102.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -94.74 -42.95 8.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.0 68.46 71.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 126.51 13.38 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -169.07 110.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.4 t30 52.31 29.25 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.32 146.07 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 64.8 m -136.49 154.24 76.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 80.25 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.0 m -118.04 145.54 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 132' ' ' LEU . 28.0 m -137.72 158.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.446 HG22 ' CB ' ' A' ' 109' ' ' PRO . 71.4 p -150.91 170.39 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -151.1 130.99 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.5 p -146.29 158.3 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.8 m -69.49 161.19 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -150.3 157.24 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.1 p -106.72 15.81 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -176.05 99.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -67.13 102.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.3 t -147.86 149.44 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.52 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.503 HG22 ' HD3' ' A' ' 160' ' ' PRO . 23.5 m -161.13 124.78 3.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -144.66 82.53 10.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.503 ' HD3' HG22 ' A' ' 158' ' ' THR . 53.9 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -68.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 10.6 p 53.37 36.2 22.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 49.8 mm -69.9 -22.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 164.08 90.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.52 28.77 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.593 ' HA ' HG12 ' A' ' 133' ' ' VAL . . . -100.3 40.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 17.38 22.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.718 ' HG ' HG23 ' A' ' 134' ' ' THR . 2.4 mm? -89.94 77.52 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.4 mm -90.96 134.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -126.38 112.45 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -116.94 158.66 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -155.6 172.24 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.767 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 28.0 m-85 -123.33 33.52 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -136.25 137.89 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.48 121.16 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.8 mt 60.51 36.46 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -52.23 -24.17 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.06 115.77 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 4.7 p -100.67 3.78 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -98.18 166.68 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.47 HD21 ' HA ' ' A' ' 114' ' ' SER . 6.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.2 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 127.97 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 129.65 29.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 169.75 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.54 84.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -122.09 132.23 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.0 p -80.88 172.78 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -69.6 -47.23 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -151.75 159.97 32.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 83.3 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.483 ' O ' HG11 ' A' ' 146' ' ' VAL . 3.8 mmm -89.22 165.49 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 93.6 m -51.09 -30.46 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.0 m -65.42 113.05 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.21 60.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.645 ' O ' HD21 ' A' ' 181' ' ' LEU . 1.9 m -51.79 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 51.1 t 48.22 72.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -147.49 100.18 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.0 m -146.9 146.78 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.12 108.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.3 m -125.88 143.21 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -92.47 125.49 37.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -73.44 177.43 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.3 OUTLIER -86.85 161.83 46.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.2 Cg_endo -69.72 -29.41 24.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -26.09 60.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.78 -178.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.0 p -151.14 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -127.71 177.75 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 72.0 m -111.66 161.46 16.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.6 ttp -130.62 155.65 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.4 OUTLIER -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.2 m -123.78 117.93 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.69 ' HA ' HG12 ' A' ' 147' ' ' VAL . 2.9 tt -126.73 148.64 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.599 ' N ' HD23 ' A' ' 132' ' ' LEU . 2.7 t -143.37 95.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.45 HG22 ' CD2' ' A' ' 132' ' ' LEU . 5.1 t -134.38 120.25 19.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.56 135.58 23.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -116.43 -25.27 7.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.59 -29.93 63.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.55 176.99 8.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -90.64 153.69 45.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.685 0.755 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 78.5 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.293 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -160.13 106.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.13 177.95 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -76.12 -176.29 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.3 m -51.21 109.08 1.21 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 88.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 110' ' ' MET . 21.6 t -142.42 135.06 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.69 HG12 ' HA ' ' A' ' 132' ' ' LEU . 18.7 m -87.07 165.19 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.9 p -150.82 130.7 13.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.619 ' HG3' HG23 ' A' ' 130' ' ' THR . 10.8 ttt-85 -116.69 132.17 56.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.0 m -148.41 149.69 32.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.46 165.09 17.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.1 t -149.18 164.39 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.9 p -112.11 8.93 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -170.43 95.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.32 108.74 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.39 136.32 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.65 109.12 4.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.4 p -100.82 87.8 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.82 80.07 26.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.14 -74.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.3 p 61.94 16.73 8.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.84 -22.84 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -122.05 -14.33 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.19 33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.53 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -159.07 95.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.37 125.06 41.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.2 mp -116.07 102.33 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -95.37 154.36 17.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.3 p -151.75 158.46 43.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.4 p -154.94 166.41 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.635 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.01 29.77 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -134.35 135.9 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.88 121.41 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.74 34.15 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.0 p -49.51 -24.54 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.39 140.7 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 18.0 m -99.7 -65.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.02 -179.97 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 114' ' ' SER . 14.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 125.12 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -114.2 134.79 54.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.6 m -133.95 140.55 46.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -71.44 77.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.9 p -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.2 p -81.15 162.92 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -95.09 34.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -150.87 152.85 32.58 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.59 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -21.43 66.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -51.05 -31.92 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -83.97 145.67 28.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.17 -76.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.5 p -64.71 171.73 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 53.4 t -176.13 79.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -144.4 99.17 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -150.35 134.62 17.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.64 118.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 144.98 50.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.27 123.37 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 71.3 m -71.6 175.88 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -85.37 161.17 52.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.29 24.13 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.01 -25.43 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.23 -179.81 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.7 p -150.48 -38.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -125.87 178.9 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.7 m -113.8 163.09 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 4.8 ttp -133.23 155.98 48.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.516 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -150.06 127.94 11.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m -107.43 99.2 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.623 ' HA ' HG12 ' A' ' 147' ' ' VAL . 1.9 pt? -123.12 175.24 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 m -147.41 89.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.839 HG23 HG23 ' A' ' 135' ' ' VAL . 5.5 t -83.48 -26.97 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.839 HG23 HG23 ' A' ' 134' ' ' THR . 23.1 t -118.81 149.55 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -117.71 122.89 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.86 30.0 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -161.41 165.06 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -116.83 69.96 4.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.03 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -91.86 -26.87 18.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -138.56 160.09 40.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -82.47 -44.07 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.8 p 46.37 71.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.97 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.82 149.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 132' ' ' LEU . 33.5 m -150.89 161.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.4 p -145.07 106.72 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 130' ' ' THR . 19.8 ttt-85 -98.75 125.29 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 59.7 p -145.45 155.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -68.52 166.85 16.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -148.91 170.65 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 p -119.17 9.85 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -169.27 92.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.16 112.02 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 156' ' ' VAL . 15.9 m -150.53 118.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.71 133.38 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 32.9 m -98.66 91.32 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -144.97 80.1 11.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -87.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -89.18 -3.97 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 64.47 22.27 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 32.8 mm -77.27 -21.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -105.54 -83.91 1.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.5 36.37 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.81 -15.43 63.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -148.45 109.63 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 113.96 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.05 93.23 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.424 ' CD1' HD21 ' A' ' 132' ' ' LEU . 9.1 m-85 -89.69 150.4 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.59 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.7 p -151.81 167.58 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 24.9 m-85 -120.2 27.15 8.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -129.79 139.03 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.67 121.87 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.2 mt 57.95 37.76 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.6 p -48.76 -27.0 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -167.74 136.67 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 7.9 p -100.56 -5.14 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.68 119.76 14.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.585 ' C ' HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 124.25 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -117.46 128.3 54.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 4.9 m -131.62 146.22 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -70.07 87.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -118.63 124.13 46.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 17.7 p -83.67 172.55 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -94.69 -43.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -101.28 102.99 23.42 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.488 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.4 Cg_endo -69.77 107.54 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.594 ' HA ' HG21 ' A' ' 146' ' ' VAL . 5.0 ptm -156.94 -178.97 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.924 HG23 HG12 ' A' ' 146' ' ' VAL . 0.8 OUTLIER -84.39 84.69 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -152.71 137.74 17.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.89 -11.21 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.538 ' HA ' HD11 ' A' ' 181' ' ' LEU . 52.1 p -95.02 24.93 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -99.56 51.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.79 93.96 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 150.16 39.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 47.9 mt -66.99 105.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 m -120.58 145.01 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.73 124.35 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 63.0 m -80.08 169.63 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.0 mtmm -69.55 163.32 60.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.7 -27.39 26.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -79.02 -28.32 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.57 142.81 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 p -129.63 -11.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -131.27 161.73 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.2 m -105.18 165.48 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 154.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 149' ' ' ARG . 2.2 m -146.99 153.09 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -129.57 107.41 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' HA ' HG12 ' A' ' 147' ' ' VAL . 42.8 mt -115.99 147.43 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.06 86.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.2 t -122.6 125.28 45.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.7 t -145.39 145.38 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.7 119.99 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.81 101.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.5 -33.52 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -99.81 160.54 27.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.746 0.784 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -95.34 -57.86 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -146.61 162.7 37.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -99.81 -40.38 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.89 156.51 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.68 0.752 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -170.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.924 HG12 HG23 ' A' ' 111' ' ' THR . 17.5 m -101.6 165.78 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 132' ' ' LEU . 32.8 m -78.97 155.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 109' ' ' PRO . 6.8 p -155.37 131.59 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.499 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -114.43 122.71 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.1 p -140.13 156.22 46.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.93 163.62 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -149.35 162.05 40.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.8 p -111.77 14.73 21.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -172.62 94.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.9 t -67.91 104.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.26 142.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.76 127.85 34.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.9 p -139.87 112.49 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -139.74 82.11 18.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.54 21.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.655 2.236 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.438 ' OD2' HD12 ' A' ' 163' ' ' ILE . 5.9 t0 -69.73 -58.28 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.94 20.48 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.438 HD12 ' OD2' ' A' ' 161' ' ' ASP . 64.1 mt -85.98 -21.93 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.38 36.43 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.51 33.78 6.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.16 77.2 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.0 109.45 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -107.26 108.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -101.39 148.76 24.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.6 p -151.34 159.35 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.1 p -155.91 170.66 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.661 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.8 m-85 -122.04 32.78 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.64 137.83 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.0 123.58 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.8 mt 57.27 36.97 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -49.58 -24.58 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -138.26 174.5 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.1 t -177.12 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.97 -13.44 62.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 114' ' ' SER . 12.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 123.73 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mppt? -115.34 130.01 56.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -129.43 143.57 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.83 76.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.4 p -106.73 128.92 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.1 p -81.92 153.73 26.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 22.76 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -150.67 67.82 8.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.752 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 74.18 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -179.89 121.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 m 50.37 35.18 10.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.8 p -99.91 108.33 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.3 -8.65 59.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 72.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.697 ' H ' HD21 ' A' ' 181' ' ' LEU . 41.9 t -86.18 80.92 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -142.98 98.48 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.2 m -145.13 132.24 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.26 113.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 55.1 m -128.93 145.4 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -89.15 122.19 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 82.2 m -71.38 176.69 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -85.73 161.09 51.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -29.79 23.33 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.5 -25.36 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -71.31 179.36 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.1 p -150.92 -38.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.726 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -124.06 176.81 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.9 m -112.53 161.57 16.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -132.3 154.31 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 149' ' ' ARG . 2.4 m -145.59 127.53 15.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 165' ' ' ALA . 96.0 m -100.5 111.45 23.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 133' ' ' VAL . 2.6 tm? -118.14 136.15 53.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.703 ' N ' HD13 ' A' ' 132' ' ' LEU . 4.1 m -148.45 95.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.1 p -51.12 129.83 24.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 137' ' ' ALA . 13.3 m -56.83 -23.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 58.03 29.67 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.501 ' H ' HG23 ' A' ' 135' ' ' VAL . . . -162.03 103.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -95.53 28.89 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -113.64 159.92 33.77 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.649 0.737 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.77 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.67 -59.5 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -131.22 105.65 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -143.17 128.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 m -174.89 72.52 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.86 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.8 t -129.19 148.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.887 HG21 HD22 ' A' ' 181' ' ' LEU . 13.7 m -145.33 176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.7 p -153.81 107.91 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.454 HH21 ' ND2' ' A' ' 178' ' ' ASN . 26.0 ttt-85 -102.35 125.96 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.0 p -143.79 154.23 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 25.9 m -68.39 166.52 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.3 t -149.97 169.57 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.0 p -118.5 12.47 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -171.91 93.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.48 106.03 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 156' ' ' VAL . 14.2 m -150.55 115.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 158' ' ' THR . . . -71.77 122.32 20.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 157' ' ' ALA . 1.3 p -155.75 118.47 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.19 85.4 2.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.652 0.739 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -87.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.29 -34.43 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' A' ' 166' ' ' ALA . 1.2 t 59.18 19.75 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.4 mm -87.29 -21.13 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.34 59.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 131' ' ' THR . . . 50.37 31.82 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 162' ' ' SER . . . -94.27 43.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -87.12 -78.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.3 88.6 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 166' ' ' ALA . 45.2 mm -97.26 95.44 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -89.88 151.6 21.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -151.1 156.53 41.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.443 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.3 p -151.44 167.37 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.726 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 20.1 m-85 -120.28 26.56 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -130.21 138.1 50.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.09 120.04 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.2 mt 60.53 38.01 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.8 p -47.62 -28.1 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' ND2' HH21 ' A' ' 149' ' ' ARG . 1.0 OUTLIER -161.87 135.27 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 8.5 t -101.51 -11.37 19.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.38 151.38 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.887 HD22 HG21 ' A' ' 147' ' ' VAL . 12.2 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 125.47 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -123.56 134.19 53.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.6 m -133.38 148.0 51.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.49 80.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -108.64 126.02 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.4 p -82.69 -176.06 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -74.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.35 161.14 34.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 127.96 15.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.19 161.69 22.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.677 ' OG1' HG12 ' A' ' 146' ' ' VAL . 26.8 m -96.98 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 p -52.85 -53.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.61 103.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -51.79 113.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 47.8 t -75.39 73.08 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -139.45 95.06 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -146.3 131.53 18.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.18 117.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.0 m -130.48 146.38 52.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -87.92 122.62 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.6 m -73.74 176.62 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -85.01 163.75 44.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.82 -27.67 25.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -76.61 -27.84 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -81.53 145.41 30.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.2 p -126.58 -19.76 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -127.11 167.04 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 75.7 m -107.9 165.12 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.9 ttp -134.65 152.83 52.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.421 ' CG2' HD21 ' A' ' 132' ' ' LEU . 85.5 m -144.82 127.33 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.3 m -104.81 112.26 25.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.652 ' HA ' HG12 ' A' ' 147' ' ' VAL . 8.7 mt -127.34 170.22 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.79 103.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 43.1 p -120.6 160.45 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.6 t -121.7 147.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -52.56 -46.14 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.87 93.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -159.75 164.6 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -142.01 136.78 15.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.757 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -87.02 -50.84 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -89.73 -69.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -146.15 164.2 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.4 p -124.33 156.27 67.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 0.0 110.811 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.677 HG12 ' OG1' ' A' ' 111' ' ' THR . 18.2 m -128.15 161.23 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 132' ' ' LEU . 16.1 m -116.06 171.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 147' ' ' VAL . 2.8 p -156.29 114.7 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.81 123.61 47.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.5 m -145.29 156.77 44.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.2 m -69.19 165.94 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.5 t -150.38 149.96 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -98.36 14.73 27.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 p -174.72 98.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.5 t -67.15 101.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 22.3 t -148.6 151.23 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.57 167.27 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.6 p -100.2 -176.71 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -75.5 160.35 79.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.538 0.685 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.68 16.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.621 2.214 . . . . 0.0 112.411 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.97 -48.53 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' A' ' 166' ' ' ALA . 1.0 OUTLIER 55.03 30.25 13.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.01 -20.9 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -119.66 58.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.72 33.81 8.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 162' ' ' SER . . . -95.38 47.24 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -87.58 -78.3 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.04 74.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 166' ' ' ALA . 47.4 mm -90.63 93.59 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -95.07 152.37 18.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -150.55 157.84 43.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.6 p -152.86 172.45 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 4.0 m-85 -123.74 33.48 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -136.27 138.07 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.03 122.22 13.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.6 mt 58.56 37.84 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.2 p -54.18 -20.36 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.38 -175.56 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 20.1 p -175.17 79.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -140.44 173.73 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 147' ' ' VAL . 6.5 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 122.94 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 135.17 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.58 166.94 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -77.82 76.3 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -102.97 122.71 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.5 p -84.09 161.51 20.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -100.29 18.46 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.4 160.92 32.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -165.27 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.558 ' H ' HG23 ' A' ' 146' ' ' VAL . 19.6 ttt -61.86 -16.26 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.8 t -49.55 -29.44 6.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 m -73.41 166.23 23.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.0 -68.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.694 ' HA ' HD11 ' A' ' 181' ' ' LEU . 11.4 p -131.41 109.2 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.717 ' N ' HD21 ' A' ' 181' ' ' LEU . 28.3 t -65.89 88.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -150.08 100.78 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -150.22 131.24 14.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.12 114.51 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.4 m -132.48 144.63 50.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.47 125.01 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.6 m -73.17 -179.08 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 24.3 mmtt -88.96 162.89 36.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.83 -27.92 25.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.48 -25.59 54.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -86.98 147.57 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.1 p -126.23 -20.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -126.54 167.12 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.1 m -108.55 166.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -139.1 154.6 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.478 HG23 ' HG3' ' A' ' 149' ' ' ARG . 4.1 m -147.99 138.43 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.02 122.51 47.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.667 ' HA ' HG12 ' A' ' 147' ' ' VAL . 0.4 OUTLIER -125.41 134.26 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.615 ' N ' HD13 ' A' ' 132' ' ' LEU . 2.9 m -148.5 80.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.455 HG22 ' CD1' ' A' ' 132' ' ' LEU . 15.3 t -129.77 147.08 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.8 t 51.36 45.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 177.43 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.24 93.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -167.73 163.83 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.97 68.85 6.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.661 0.743 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.98 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -85.72 -25.88 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.34 149.25 47.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.2 p -175.46 74.35 0.29 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.712 0.767 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.558 HG23 ' H ' ' A' ' 110' ' ' MET . 4.6 p -137.3 120.04 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' ' 132' ' ' LEU . 26.9 m -81.64 158.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 147' ' ' VAL . 0.8 OUTLIER -163.08 121.92 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' HG3' HG23 ' A' ' 130' ' ' THR . 1.4 ttt180 -107.97 116.46 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.6 p -141.49 156.58 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.5 m -68.38 164.06 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.9 t -150.43 149.34 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.1 p -95.95 11.36 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 156' ' ' VAL . 3.2 p -169.78 96.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -66.67 123.15 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 154' ' ' SER . 2.8 t -138.67 162.59 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 156' ' ' VAL . . . -138.28 141.43 39.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.662 ' OG1' ' HB1' ' A' ' 166' ' ' ALA . 27.4 p -100.13 -165.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.81 160.22 29.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.509 ' CB ' HG23 ' A' ' 163' ' ' ILE . 2.5 m-20 -67.95 -42.06 81.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.713 ' HA ' ' HB3' ' A' ' 166' ' ' ALA . 1.0 OUTLIER 56.89 24.77 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.509 HG23 ' CB ' ' A' ' 161' ' ' ASP . 1.5 pp -68.99 -21.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -129.67 69.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.59 33.94 6.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 162' ' ' SER . . . -99.22 67.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -69.46 -169.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.67 88.03 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.8 130.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -127.2 116.85 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.1 p -122.59 155.3 36.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.99 172.37 16.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.0 m-85 -126.31 31.51 5.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -135.37 137.75 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.46 121.38 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.2 mt 64.83 33.41 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.41 -24.74 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -146.16 123.48 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -94.52 -34.9 12.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -70.0 165.7 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.717 HD21 ' N ' ' A' ' 115' ' ' CYS . 12.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 124.02 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.04 134.03 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -134.13 149.64 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.72 96.81 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 p -123.12 125.21 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.14 166.8 18.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -70.32 -40.5 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -144.05 160.43 49.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.79 4.73 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.613 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -123.68 106.34 10.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.5 m -73.39 -17.76 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 p -103.0 -46.0 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -71.54 -178.07 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.816 ' HA ' HD11 ' A' ' 181' ' ' LEU . 23.0 m -107.78 100.3 9.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 37.1 t -67.61 85.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -147.81 101.8 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.89 134.25 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.94 115.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.3 m -132.19 144.69 50.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 123.26 32.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -70.77 174.59 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -87.53 161.18 46.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.2 Cg_endo -69.8 -30.1 22.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.22 -22.47 57.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.16 -179.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.5 p -150.59 -38.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.811 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -129.06 179.65 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.8 m -111.3 156.64 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.79 147.13 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.515 HG23 ' HE ' ' A' ' 149' ' ' ARG . 51.7 m -149.09 94.14 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -89.94 131.37 35.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.788 ' HA ' HG21 ' A' ' 147' ' ' VAL . 2.0 pt? -149.5 176.3 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 166' ' ' ALA . 4.1 m -146.26 93.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.437 HG23 HD12 ' A' ' 132' ' ' LEU . 75.7 p -111.21 -175.68 2.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 135' ' ' VAL . 12.4 p 40.09 37.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -152.04 135.72 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.17 48.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.81 147.59 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.4 66.85 6.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.726 0.774 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -168.44 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.647 2.232 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.61 -77.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -167.46 101.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.474 ' HB3' ' HD2' ' A' ' 145' ' ' PRO . 0.7 OUTLIER -135.75 160.21 68.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.702 0.763 . . . . 0.0 110.868 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 144' ' ' SER . 53.6 Cg_endo -69.78 -161.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.96 129.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.794 ' O ' HG23 ' A' ' 148' ' ' THR . 13.7 m -59.61 -171.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.794 HG23 ' O ' ' A' ' 147' ' ' VAL . 0.5 OUTLIER 178.0 -179.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 130' ' ' THR . 8.1 ttm180 -125.63 116.97 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 p -149.84 162.45 40.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -69.01 168.46 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.7 t -145.34 169.14 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.3 p -118.09 10.7 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.7 p -171.99 93.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.6 t -68.17 100.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.9 t -149.94 139.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.06 115.9 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 28.6 m -99.95 80.07 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -142.6 80.15 14.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.691 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -7.84 22.08 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.63 -60.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 59.0 19.98 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.7 -24.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -124.75 -27.02 1.33 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.91 33.36 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 133' ' ' VAL . . . -77.12 -18.32 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -100.53 94.62 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.92 92.37 6.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.87 92.11 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.13 148.83 21.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 p -150.03 157.67 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.6 p -150.72 170.79 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.811 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 70.1 m-85 -120.82 31.99 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.48 138.62 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.11 122.04 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 mt 56.92 37.22 28.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.6 p -52.01 -24.52 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -143.72 122.48 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -99.43 -33.91 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.77 155.97 39.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 114' ' ' SER . 11.8 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.95 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -121.45 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -132.3 146.34 51.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.94 79.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -103.38 121.25 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.2 159.02 21.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -94.2 13.47 23.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -150.04 98.83 3.3 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.653 0.74 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.6 Cg_endo -69.75 93.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 ttt -158.7 166.6 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.706 HG23 ' HA ' ' A' ' 146' ' ' VAL . 0.7 OUTLIER -89.75 -31.66 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -62.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.08 127.09 31.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -60.91 109.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 35.8 t -72.66 80.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.568 ' HD3' HD11 ' A' ' 181' ' ' LEU . 16.0 mtp85 -143.89 96.79 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.7 m -150.14 124.3 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.41 120.55 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.5 m -134.76 147.97 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 122.41 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.903 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 74.4 m -68.97 176.38 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 22.5 mttt -86.39 161.34 48.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.72 -28.83 24.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -75.14 -27.61 59.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.84 179.69 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 67.6 p -151.22 -38.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -123.99 179.1 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.5 m -112.16 163.5 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.5 ttt -133.22 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.1 m -140.38 135.94 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.2 m -120.37 92.24 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 54.8 tp -95.85 146.19 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 133' ' ' VAL . 2.4 p -150.9 104.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 41.6 m -119.21 103.37 9.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.1 m -150.42 174.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.68 149.62 21.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.42 99.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.72 -12.36 60.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.56 74.85 2.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.14 34.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -87.04 -27.71 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -95.62 -20.9 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -139.77 163.06 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 p -172.86 74.72 0.42 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.83 26.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.706 ' HA ' HG23 ' A' ' 111' ' ' THR . 34.3 m -129.53 166.07 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 148' ' ' THR . 27.3 m -103.07 164.15 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.609 HG22 ' HB3' ' A' ' 109' ' ' PRO . 2.4 p -156.43 115.75 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -109.56 111.77 23.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.2 p -137.37 158.76 43.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 26.9 m -68.14 166.26 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.7 t -148.03 168.57 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.5 p -118.48 7.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.99 90.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.03 109.57 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.4 126.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.96 127.14 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.5 p -93.22 90.94 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 165' ' ' ALA . 7.5 t0 -141.75 80.64 15.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -86.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.402 ' OD2' HD11 ' A' ' 163' ' ' ILE . 10.1 t0 -82.57 -12.29 57.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 63.34 19.23 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.402 HD11 ' OD2' ' A' ' 161' ' ' ASP . 90.2 mt -75.47 -23.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -121.85 -86.08 0.83 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.422 ' HB2' ' OD1' ' A' ' 159' ' ' ASP . . . 51.38 38.68 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.94 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -100.36 107.37 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.81 105.79 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.2 107.71 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -111.13 107.97 17.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.3 p -114.9 154.93 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.531 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 4.0 p -150.08 171.19 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.8 m-85 -121.93 31.56 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -135.41 138.64 43.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.24 124.31 19.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 54.92 37.49 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.2 p -50.65 -25.0 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -149.6 127.96 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 56.4 p -100.76 -30.59 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.0 150.22 46.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 181' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 124.79 24.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -133.47 131.32 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.24 167.69 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -76.72 105.64 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -136.72 123.91 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 p -83.53 -175.78 5.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -29.28 14.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.66 156.95 56.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 127.29 14.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.576 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -162.68 85.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 145' ' ' PRO . 93.1 m -58.31 -52.75 64.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.0 t -51.21 -42.38 60.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -80.1 -168.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.733 ' HA ' HD12 ' A' ' 181' ' ' LEU . 3.8 p -75.05 -65.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.0 t 62.1 35.08 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -136.69 94.76 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -129.71 149.13 51.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.81 121.42 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 m -134.83 143.88 47.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.89 124.65 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.7 m -71.84 178.79 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.3 mmtt -88.26 161.16 43.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.679 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.72 -29.18 24.49 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.07 -25.34 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.21 -178.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 57.8 p -150.76 -39.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.775 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -127.47 179.6 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.3 m -110.87 165.99 11.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.7 ttp -136.75 152.15 50.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.469 HG23 ' CD ' ' A' ' 149' ' ' ARG . 1.7 m -140.9 152.81 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -130.05 92.44 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 132' ' ' LEU . 5.9 tt -106.13 133.51 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.72 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.4 m -121.48 15.81 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.0 m -47.17 -33.5 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.7 t -85.81 99.93 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 58.6 72.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 133' ' ' VAL . . . -96.58 -31.2 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -163.72 170.99 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -87.89 162.85 40.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.717 0.77 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -7.59 21.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -83.14 -9.47 59.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -176.24 107.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.2 142.42 27.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.3 p 179.79 66.05 0.14 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.685 ' HB2' HG21 ' A' ' 111' ' ' THR . 53.6 Cg_endo -69.8 153.98 68.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 146' ' ' VAL . 6.1 p -150.37 121.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 148' ' ' THR . 21.4 m -125.72 166.67 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 147' ' ' VAL . 1.4 p -158.56 138.39 12.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.469 ' CD ' HG23 ' A' ' 130' ' ' THR . 13.9 ttt-85 -124.52 122.39 37.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.3 p -141.29 156.15 45.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 55.7 m -68.35 168.19 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.6 t -149.61 167.79 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.5 p -117.04 8.13 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.32 92.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.4 t -68.37 112.56 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 156' ' ' VAL . 8.2 m -150.36 111.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.55 124.48 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 94.1 m -94.1 90.53 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -151.22 80.45 6.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -86.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.4 -9.5 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 63.56 20.1 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.7 mt -71.95 -21.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -107.28 -77.02 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.19 37.12 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.79 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -143.14 103.37 4.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.08 109.79 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 mp -90.88 135.43 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.39 115.25 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -119.16 155.32 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.529 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 2.1 p -150.14 165.67 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.775 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 22.7 m-85 -119.35 31.38 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -136.4 137.55 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.43 120.78 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 64.13 35.34 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.81 -24.12 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -138.16 172.89 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.2 t -177.77 98.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.39 -77.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 114' ' ' SER . 23.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.9 125.02 25.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.24 128.1 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.2 m -133.73 165.78 24.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -76.12 113.42 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 p -144.43 126.87 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.85 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -71.66 -76.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -106.73 156.11 37.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -4.68 14.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.4 tpt -89.21 -24.66 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.3 p -52.25 102.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.73 -20.54 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -50.25 -56.43 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.428 ' HA ' HD21 ' A' ' 181' ' ' LEU . 78.4 p -173.11 107.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 47.2 t -104.18 71.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -143.99 41.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -94.4 138.51 32.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.98 132.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.3 m -139.08 144.45 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 123.23 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 73.9 m -73.33 176.19 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.9 mttt -86.72 161.18 48.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.73 -30.01 23.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.76 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -69.28 -177.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.3 p -151.29 -38.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -131.5 178.85 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.1 m -112.42 163.28 14.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttm -133.12 148.99 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.438 HG23 ' CD ' ' A' ' 149' ' ' ARG . 2.0 m -137.09 158.88 43.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.4 96.55 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 147' ' ' VAL . 0.2 OUTLIER -102.58 127.92 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 135' ' ' VAL . 14.5 p -117.59 -26.93 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.1 m -51.06 103.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 133' ' ' VAL . 48.7 t -135.13 146.81 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -51.42 113.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.39 103.45 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.9 -16.55 63.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -113.8 73.83 2.34 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.68 0.752 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 79.08 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -88.46 -28.76 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -73.37 128.06 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -95.9 34.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.2 t -61.29 153.07 70.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.708 0.766 . . . . 0.0 110.806 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 147' ' ' VAL . 6.1 t -90.11 157.74 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 132' ' ' LEU . 35.5 m -49.79 155.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.6 p -144.39 139.38 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.438 ' CD ' HG23 ' A' ' 130' ' ' THR . 11.0 ttt-85 -129.9 125.09 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -145.79 154.27 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 31.7 m -68.26 166.51 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.8 t -150.39 168.98 22.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.1 p -117.34 8.5 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.11 93.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.73 114.73 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.5 m -149.49 124.11 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.65 113.01 6.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.6 t -100.54 71.61 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.76 95.08 8.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.458 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 53.2 Cg_endo -69.78 -78.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.458 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 0.9 OUTLIER -69.47 -59.72 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 t 57.79 22.17 8.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.1 mt -73.89 -21.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.09 -18.32 20.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.12 35.54 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.04 -17.33 63.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -156.13 148.66 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.69 123.12 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.03 124.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.42 117.39 28.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.7 p -120.5 152.19 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.2 p -149.86 161.55 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.626 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.5 m-85 -116.19 31.2 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -135.85 135.71 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.4 121.89 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.16 36.72 21.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 7.4 p -47.49 -27.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -141.86 -167.85 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -173.21 92.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.15 165.49 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 114' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 123.38 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.23 139.77 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.45 166.94 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.34 72.91 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 p -81.92 -175.83 5.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.66 -66.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.54 161.4 49.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 90.27 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.7 ttt -111.07 175.81 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.0 t -51.22 -30.17 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.3 p -53.99 109.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 181' ' ' LEU . . . -75.12 -6.55 50.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m -70.94 -75.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 41.0 t 51.11 81.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -150.26 102.02 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 m -149.72 135.07 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.92 114.72 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.8 m -134.89 144.5 47.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -89.8 125.62 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.9 m -72.65 175.9 5.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.2 mtmm -82.5 161.29 59.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.81 -28.86 24.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.66 -23.08 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.94 -179.6 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.7 p -150.1 -41.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.61 -177.0 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 m -116.54 166.96 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -132.77 147.25 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 87.7 m -138.32 130.37 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 m -117.88 98.1 6.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 133' ' ' VAL . 3.4 tm? -95.45 139.69 31.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.664 ' N ' HD13 ' A' ' 132' ' ' LEU . 2.4 p -150.87 103.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 135' ' ' VAL . 0.7 OUTLIER -85.38 165.34 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 134' ' ' THR . 38.7 t -52.76 -30.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -53.77 120.83 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.17 105.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.97 -21.96 63.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -113.85 73.91 2.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.33 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -98.56 -28.96 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -139.73 128.54 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -94.09 105.43 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.0 t 178.38 68.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 91.3 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.99 141.83 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 181' ' ' LEU . 31.5 m -100.23 168.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.3 p -148.19 119.74 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -113.7 123.01 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.4 171.1 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.0 165.86 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.4 t -150.21 140.45 22.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -93.88 16.02 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -171.48 94.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 7.2 t -66.99 111.96 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.53 -174.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.61 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 17.3 p -70.62 -164.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.25 157.79 88.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.81 21.99 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 p 61.98 16.64 8.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.19 81.07 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 160.8 -41.13 0.43 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.64 35.06 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.11 -20.81 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -160.97 94.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.32 108.5 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 124.12 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -135.59 107.48 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.65 161.06 14.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.467 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 5.0 p -156.83 166.94 31.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.777 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 25.0 m-85 -120.85 28.48 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 137.54 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.43 122.18 13.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 63.55 33.81 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.17 -25.65 3.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -143.9 121.07 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 -52.71 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.48 172.64 8.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 147' ' ' VAL . 12.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 126.44 29.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -138.17 136.78 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 m -133.35 173.71 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -84.4 74.49 10.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -106.49 129.45 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p -80.8 -177.36 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -69.3 -48.75 60.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -151.99 157.61 34.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.298 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.481 ' CA ' HG11 ' A' ' 146' ' ' VAL . 3.5 tpt -156.08 140.68 16.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 111' ' ' THR . 5.2 t -57.36 120.21 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.0 t -148.04 -175.42 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.47 48.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -179.17 123.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.17 42.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.36 91.48 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 m -122.94 140.87 52.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 24.3 mt -65.58 107.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.2 m -126.39 144.43 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.77 124.02 34.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 81.3 m -68.92 174.95 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 3.6 mttt -84.6 161.42 53.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.75 -29.23 24.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.95 -27.76 61.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.32 -179.2 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.3 p -151.03 -39.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -121.22 -177.3 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.14 162.39 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.9 ttm -133.27 155.73 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 m -150.13 139.12 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.0 m -116.51 109.66 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.602 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.8 tp -113.45 145.99 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 166' ' ' ALA . 1.6 p -150.73 103.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.1 103.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.32 -26.08 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.41 -27.51 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.85 71.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -98.61 -179.89 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -103.23 159.76 28.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 109.59 2.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -100.77 -155.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -116.98 -6.79 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.27 -24.34 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.9 t 61.92 73.76 0.54 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.5 40.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.481 HG11 ' CA ' ' A' ' 110' ' ' MET . 14.0 p -145.4 149.7 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 132' ' ' LEU . 15.8 m -66.79 160.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.7 p -144.05 120.8 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.25 126.18 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.3 p -147.26 150.8 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.9 m -68.42 165.33 19.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.9 t -150.21 166.54 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.6 p -109.64 15.07 23.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -172.97 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.59 113.27 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 157' ' ' ALA . 8.5 p -144.85 160.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 158' ' ' THR . . . -138.74 134.16 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -159.9 116.8 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.02 88.67 3.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 158' ' ' THR . 53.6 Cg_endo -69.75 -8.06 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 -72.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.46 20.6 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.69 -21.87 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 172.16 34.0 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.06 36.65 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 133' ' ' VAL . . . -69.71 -16.8 63.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -149.72 137.15 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.12 125.48 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.89 104.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -98.72 154.72 17.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 14.7 p -150.52 167.53 26.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 6.2 p -166.67 172.1 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.761 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 29.0 m-85 -123.29 29.56 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.11 139.41 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 124.34 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 3.3 mt 59.48 34.31 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.7 p -51.29 -25.02 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -146.66 178.35 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.8 91.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.72 148.14 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 126.26 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -122.75 125.86 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.3 m -129.51 146.56 51.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -70.22 88.5 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 p -119.16 123.99 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.51 179.17 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.02 -77.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -106.7 159.13 30.96 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.74 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 125.36 12.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.453 ' HG3' ' HB3' ' A' ' 113' ' ' ALA . 2.2 ptm -175.05 129.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.7 p -86.63 -31.01 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -52.41 -47.47 66.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' HB3' ' HG3' ' A' ' 110' ' ' MET . . . -79.72 -177.83 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -104.23 93.15 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.23 69.3 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -141.24 53.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -103.13 132.48 49.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.02 115.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -121.79 144.6 48.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.44 122.45 31.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.0 m -80.23 179.68 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.589 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.5 OUTLIER -87.36 163.82 37.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.6 Cg_endo -69.71 -27.86 26.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -84.47 145.1 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 p -127.43 -16.07 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.766 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -128.55 164.47 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 35.2 m -109.04 165.32 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.17 145.67 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.436 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -137.64 147.26 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m -122.41 110.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 132' ' ' LEU . 5.4 tt -153.12 152.53 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.536 HG13 ' H ' ' A' ' 134' ' ' THR . 0.2 OUTLIER -139.76 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.536 ' H ' HG13 ' A' ' 133' ' ' VAL . 2.4 t 34.93 66.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.472 HG13 HG23 ' A' ' 133' ' ' VAL . 16.9 m -107.52 -179.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -84.85 141.51 30.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -162.59 103.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -71.21 -24.71 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -117.9 68.92 6.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.704 0.764 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.73 45.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -100.13 24.28 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 40.33 42.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -22.87 63.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.7 m 62.48 68.61 1.01 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.731 0.777 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.62 41.39 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.7 t -149.85 139.66 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 148' ' ' THR . 24.4 m -84.75 157.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 147' ' ' VAL . 5.5 p -155.47 130.69 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HG3' HG23 ' A' ' 130' ' ' THR . 13.4 ttt-85 -118.84 132.92 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.64 167.98 24.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.67 161.1 28.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.1 t -150.46 163.42 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.6 p -116.82 14.27 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 p -171.82 94.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.3 105.36 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.17 145.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.33 121.42 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.0 119.26 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 6.1 t0 -103.36 96.21 8.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.6 Cg_endo -69.78 -8.06 22.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.553 ' OD2' HD12 ' A' ' 163' ' ' ILE . 15.1 t0 -72.35 -30.0 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 62.39 18.29 10.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.553 HD12 ' OD2' ' A' ' 161' ' ' ASP . 68.4 mt -99.26 -22.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 98.96 102.21 2.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.62 36.69 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 163' ' ' ILE . . . -85.23 -12.18 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -158.39 108.77 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.31 125.04 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.05 128.27 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -116.44 112.46 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.7 p -120.04 157.47 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.51 173.46 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.766 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 27.0 m-85 -123.96 31.56 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -137.69 137.87 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.85 123.34 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.53 37.76 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 -23.84 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.47 140.2 39.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 5.2 t -100.96 24.83 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -99.91 168.24 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 181' ' ' LEU . 6.6 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 123.8 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -120.68 131.18 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.2 m -126.19 152.8 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -75.43 70.32 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -98.6 128.4 44.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.2 p -81.79 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -87.18 -15.79 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.83 72.64 16.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 81.8 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' THR . 3.5 ttm -175.09 129.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' MET . 9.4 t 37.49 42.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.2 m -99.29 110.22 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.64 -13.79 61.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -116.55 -71.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 43.9 t 50.94 82.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -150.03 101.6 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -146.16 134.17 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.58 114.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.5 m -132.75 145.25 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.88 124.13 33.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 94.2 m -75.32 -178.51 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.539 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -87.72 162.01 43.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.75 -28.29 25.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -74.77 -21.21 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.74 179.59 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 69.8 p -150.34 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 172' ' ' CYS . . . -131.59 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.0 m -112.72 164.06 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.9 ttp -132.92 153.29 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 49.3 m -145.49 132.98 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.52 112.16 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.685 ' HA ' HG12 ' A' ' 147' ' ' VAL . 5.4 tt -122.39 144.54 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.598 ' N ' HD23 ' A' ' 132' ' ' LEU . 4.2 m -143.0 91.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 132' ' ' LEU . 1.1 p -105.09 20.44 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.02 143.6 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -116.63 -25.97 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.19 -75.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.06 146.22 46.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.26 135.77 25.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.696 0.76 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -86.14 -26.06 25.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -123.0 164.1 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 152.42 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.2 p 62.95 157.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 141.56 45.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.56 143.77 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 132' ' ' LEU . 28.2 m -139.94 159.74 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.1 p -145.31 125.92 14.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.25 127.59 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.2 169.94 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.7 m -75.56 160.06 30.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.1 t -144.6 145.41 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 93.9 p -101.86 12.87 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -171.73 93.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.66 101.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 10.3 m -150.56 119.63 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 158' ' ' THR . . . -69.86 115.61 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -161.46 115.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.82 159.96 50.88 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -86.6 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.97 -25.6 24.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 86.4 p 49.11 89.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 60.9 mt -100.04 -21.92 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.48 28.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 52.03 36.11 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 133' ' ' VAL . . . -80.63 -15.67 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -100.0 89.37 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 105.79 7.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.1 mt -104.1 105.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -104.36 155.79 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -150.55 157.47 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.551 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.2 p -151.04 166.11 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.487 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 5.4 m-85 -118.78 30.1 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -133.17 138.5 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 121.14 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.5 mt 60.75 36.87 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.3 p -51.12 -24.8 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -139.52 112.38 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 12.4 t -100.88 -59.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.45 124.51 24.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 126.12 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 137.53 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.7 m -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.82 76.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 p -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 p -82.26 146.1 29.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -72.59 -29.6 63.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -95.76 145.19 29.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -165.48 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.25 -21.51 24.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.0 p -48.44 -38.14 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 134.67 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 146' ' ' VAL . . . -81.16 179.76 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.552 ' HA ' HD21 ' A' ' 181' ' ' LEU . 0.9 OUTLIER 54.26 66.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 36.7 t -82.01 88.99 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.52 99.42 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.96 126.84 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.06 119.98 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.4 m -132.34 145.59 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -88.92 124.25 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 95.8 m -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.6 mttt -85.21 163.64 44.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.73 -28.7 25.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -72.23 -27.72 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.12 144.91 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -128.87 -11.42 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 173' ' ' PHE . . . -133.73 164.69 26.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.1 m -109.12 166.46 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.6 ttp -135.48 151.75 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 79.5 m -139.61 110.94 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.766 HG23 ' HB1' ' A' ' 166' ' ' ALA . 86.7 m -88.99 115.59 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' A' ' 147' ' ' VAL . 21.8 tp -130.05 150.68 51.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 165' ' ' ALA . 1.8 p -150.26 103.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 135' ' ' VAL . 0.4 OUTLIER -107.1 166.12 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 134' ' ' THR . 85.3 t -115.57 -23.66 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 63.22 53.66 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -168.24 104.77 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -77.89 117.41 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -149.01 157.93 39.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.703 0.763 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -174.9 113.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -51.46 103.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -89.42 -21.91 22.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.2 t 63.4 70.66 0.7 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 103.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 113' ' ' ALA . 21.3 t -142.87 151.0 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 132' ' ' LEU . 18.5 m -129.27 149.18 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -111.29 102.12 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.75 133.99 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.68 171.09 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.7 m -83.77 161.84 20.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.5 t -150.39 157.12 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -110.34 17.19 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 p -174.23 95.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.72 100.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p -150.75 140.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.14 115.84 9.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -175.84 133.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.413 ' HB2' HD11 ' A' ' 169' ' ' ILE . 5.6 t70 -140.38 81.05 18.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -7.71 21.75 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.277 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -82.81 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.6 m 51.77 26.35 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.2 -21.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -128.8 28.33 4.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.49 ' HB3' HG21 ' A' ' 133' ' ' VAL . . . 50.68 35.92 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.766 ' HB1' HG23 ' A' ' 131' ' ' THR . . . -80.33 58.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.412 ' O ' HD12 ' A' ' 169' ' ' ILE . 70.9 m-70 -69.44 -22.14 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 168' ' ' LEU . 1.9 mm? -90.41 91.87 8.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 159' ' ' ASP . 2.3 mp -114.7 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.73 154.22 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.6 p -150.97 159.55 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.56 173.96 15.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 127' ' ' ALA . 3.8 m-85 -124.11 33.39 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 138.91 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.9 123.73 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.25 36.13 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.5 p -50.92 -25.23 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -139.86 112.17 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.8 p -99.91 10.99 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.64 147.27 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 123.81 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -119.95 131.74 55.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.4 m -129.82 150.77 50.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.64 70.19 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -98.12 124.69 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p -83.21 168.26 16.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -99.9 -14.56 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -113.57 74.54 2.3 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.658 0.742 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' CB ' HG22 ' A' ' 148' ' ' THR . 54.0 Cg_endo -69.75 -3.55 12.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.67 -37.51 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -68.77 160.26 30.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.5 t -93.1 -3.39 54.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.53 166.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.61 100.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.02 88.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.8 mtp-105 -148.73 100.68 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.4 m -150.22 126.69 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 54.5 mt -67.59 117.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.1 m -132.64 147.96 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -88.79 122.2 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.772 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 98.4 m -73.35 177.96 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 5.5 mttm -85.53 161.66 50.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.83 -28.88 24.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -73.56 -27.04 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.08 173.74 10.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -149.36 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -120.01 172.33 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.3 m -111.57 159.74 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.2 ttt -132.21 142.15 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.4 m -138.74 130.75 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.2 m -108.68 107.01 17.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.644 HD23 ' N ' ' A' ' 133' ' ' VAL . 1.7 tt -105.67 155.47 19.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.644 ' N ' HD23 ' A' ' 132' ' ' LEU . 1.4 p -150.81 103.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -60.02 167.95 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 135' ' ' VAL . 8.1 p -90.1 12.23 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -94.87 31.36 1.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.58 74.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.92 -20.91 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -91.86 154.92 43.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 74.57 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 166' ' ' ALA . 5.1 t80 -100.17 -55.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -108.17 -173.52 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -99.51 -48.92 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.0 m -149.74 160.47 33.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.75 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.19 150.15 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.704 HG21 ' CD1' ' A' ' 181' ' ' LEU . 20.8 m -114.21 170.2 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.411 HG22 ' CB ' ' A' ' 109' ' ' PRO . 4.2 p -152.5 111.14 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -106.15 130.35 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.0 m -147.88 155.65 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 14.8 m -68.51 163.22 23.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.8 t -149.91 170.26 19.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.78 11.09 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 p -169.74 92.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.94 110.71 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 m -150.19 145.13 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -82.87 135.85 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 158' ' ' THR . 2.1 t -98.58 92.18 5.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -146.22 80.75 10.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.354 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -83.81 -5.45 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 64.78 19.61 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 80.0 mt -76.02 -21.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -137.54 -104.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.69 39.96 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 141' ' ' PHE . . . -69.28 -14.88 63.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -92.89 115.28 27.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.69 108.96 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.58 90.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.77 111.83 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 8.7 p -122.85 153.74 39.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . 0.487 ' O ' ' HB1' ' A' ' 127' ' ' ALA . 3.1 p -150.65 174.19 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 21.4 m-85 -123.2 30.71 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -136.36 138.77 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.8 125.19 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 mt 51.82 38.66 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.1 p -49.37 -26.02 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -143.25 120.87 11.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.84 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -139.6 150.43 45.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.704 ' CD1' HG21 ' A' ' 147' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 stop_ save_