data_2n99_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 2n99 _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 . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.2 pt -141.99 176.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -100.06 136.4 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 60.1 m -146.0 -172.1 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -95.74 124.46 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -120.73 42.96 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 165.47 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -78.28 -55.32 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.01 -115.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 62.63 40.4 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.51 -20.27 11.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.13 41.76 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.3 p -55.09 176.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.3 p -127.86 155.14 44.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -174.9 92.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 106.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 m -125.21 154.71 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -73.68 124.86 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.9 m -74.92 -173.84 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.57 144.81 33.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -52.69 -31.21 36.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.93 -34.67 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.4 p -78.85 118.5 20.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -117.73 22.14 12.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -142.84 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -113.64 152.79 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.18 144.15 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 71.6 m -130.98 113.68 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.9 p -108.68 107.02 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.13 104.59 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.814 0.256 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 139.55 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.51 95.63 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.4 m -97.04 119.92 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -109.47 149.63 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.12 -167.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.79 157.24 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -165.51 172.61 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.65 43.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.23 -111.67 0.49 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.741 . . . . 0.0 110.904 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.87 120.69 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.69 104.28 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.13 166.52 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.3 151.47 5.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -92.26 49.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.92 136.65 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 80.4 p -58.21 134.65 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 54.8 mt 47.39 39.47 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.34 22.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -103.41 3.22 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -63.56 -177.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.733 0.301 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 pt -135.99 179.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -103.32 134.8 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 56.1 m -143.85 -172.39 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -95.47 122.09 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.77 37.17 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.38 168.09 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -88.08 -53.04 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.62 -118.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 63.96 43.17 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.76 0.32 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.54 46.74 4.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.44 178.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.1 p -125.81 150.63 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -176.02 87.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.57 110.83 3.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -132.44 164.57 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -76.72 142.15 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 76.3 m -88.43 -174.08 4.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.74 145.01 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -50.49 -30.23 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.93 -42.43 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.8 p -72.64 138.55 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.92 7.47 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -133.49 177.2 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -127.29 136.23 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.69 141.71 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.2 m -129.13 102.48 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.9 p -101.77 106.73 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.12 104.53 14.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.839 0.266 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -75.78 137.42 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.11 98.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.6 m -96.6 123.42 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -111.43 137.34 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -157.37 -169.08 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -123.16 154.75 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.73 164.99 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.5 mt -90.74 45.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.79 -119.2 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.56 124.84 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.13 108.91 10.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.69 152.45 35.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.04 153.37 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.05 48.78 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.78 136.7 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.3 t -59.72 135.02 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 34.8 mt 48.85 37.51 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.4 p -81.2 22.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.85 -22.6 17.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -143.68 139.13 29.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.317 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.65 -174.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -104.14 130.58 51.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 59.9 m -146.27 178.22 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.92 132.04 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -126.63 32.75 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.35 125.21 30.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -106.12 26.63 9.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.46 -128.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -148.03 -176.04 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.56 29.18 11.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.01 28.13 38.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 33.0 t -42.47 136.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 p -132.3 157.55 44.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -174.48 99.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.98 111.27 3.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -132.23 161.58 33.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -75.68 123.88 26.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.26 -174.92 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.31 145.56 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -50.33 -31.31 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.52 -42.55 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -75.41 120.1 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.3 m -118.98 10.23 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -138.72 161.39 37.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -108.53 158.13 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.36 140.81 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -119.9 114.58 22.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 p -121.33 146.26 47.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -148.95 132.71 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.795 0.248 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -101.26 135.14 43.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.14 120.66 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.6 m -128.71 142.87 50.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm -122.25 152.87 39.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -163.22 -168.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -125.17 157.88 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -165.51 166.43 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.2 mt -91.38 41.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.55 -112.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 74.3 mt -143.24 115.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.77 113.18 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.9 m -111.86 164.67 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.69 149.51 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -91.23 46.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 137.35 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 33.0 p -58.24 134.53 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 33.7 mt 47.3 39.52 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.5 p -82.69 22.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -104.2 -3.02 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -143.27 146.25 33.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.7 pt -137.37 179.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -97.84 132.21 43.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 61.2 m -146.33 179.97 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -95.45 127.78 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -125.33 39.33 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.73 165.97 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.11 -177.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.96 -133.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 66.82 31.84 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.37 7.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.56 14.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.9 p -58.02 167.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 p -108.37 148.6 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -175.14 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.51 118.05 5.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 p -138.88 152.12 47.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -75.54 135.0 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.57 168.51 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 146.88 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -50.74 -39.76 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.81 -35.4 62.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.555 ' HG ' ' N ' ' A' ' 147' ' ' HIS . 1.4 t -78.38 115.96 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.03 26.39 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -145.05 157.99 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.27 149.84 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.9 t -133.95 147.6 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.0 m -132.25 127.01 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 72.2 p -119.14 100.12 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.19 103.16 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.858 0.274 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.37 100.17 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.3 t -104.72 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 99.6 m -100.18 134.72 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -116.15 157.4 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 ptp -162.28 -166.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.03 157.4 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . 0.555 ' N ' ' HG ' ' A' ' 122' ' ' SER . 11.3 t60 -166.0 175.15 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.4 mt -91.25 42.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 150.37 -111.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.12 143.82 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -127.61 100.15 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.37 133.75 52.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.72 146.84 26.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 36.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.49 135.39 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.4 p -57.76 133.49 55.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.8 mt 48.68 39.86 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.0 p -81.34 22.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -104.95 4.86 32.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -63.4 -175.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.717 0.294 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.4 pt -88.46 175.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -93.82 135.54 35.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -145.78 174.06 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -94.62 105.03 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.04 44.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 t -87.47 170.81 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.5 m -73.42 -82.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 163.84 -98.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 59.51 24.04 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.98 -26.15 4.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.42 43.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.7 t -50.49 157.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 p -141.28 147.99 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -174.35 90.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.68 100.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -129.14 144.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 152.41 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -103.79 -178.98 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 159.91 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -48.6 -46.14 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -38.56 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.7 m -69.45 107.28 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 t -116.85 1.13 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -136.41 166.78 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.01 158.1 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.9 t -137.39 141.13 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.9 m -128.94 91.84 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.7 p -98.98 151.86 20.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 118.23 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.814 0.256 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 140.4 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.43 160.85 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.3 m -159.98 113.2 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.89 140.72 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -162.41 -177.02 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.47 157.15 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -165.47 173.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.2 48.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.84 -121.25 1.98 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.75 144.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.48 99.72 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 15.3 m -108.39 165.23 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.83 150.6 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -91.16 45.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.67 138.02 49.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 76.1 p -60.53 134.53 57.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 41.0 mt 50.13 36.52 12.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.14 22.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -105.3 -12.31 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 130.03 41.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.83 169.87 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -95.13 132.82 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 15.2 m -141.53 -174.83 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -96.13 109.32 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.42 34.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.3 167.99 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.405 ' HB ' ' CD2' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -103.36 170.72 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.8 98.38 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.405 ' CD2' ' HB ' ' A' ' 107' ' ' THR . 66.0 m-85 -155.02 42.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.68 11.58 9.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.26 27.99 56.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.7 p -56.37 172.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.1 p -133.48 165.99 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -175.06 82.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.63 101.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -128.37 161.33 29.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -76.06 129.47 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 88.8 m -74.86 -177.6 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.7 140.04 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -47.76 -32.25 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.27 -47.25 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -72.3 115.28 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -106.4 16.39 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.468 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 5.4 m80 -146.94 172.83 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.23 143.39 46.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -120.4 152.87 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 m -134.2 122.03 22.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.5 p -121.84 112.39 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -111.8 88.42 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.796 0.248 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.81 82.83 2.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 90.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.8 m -97.81 131.01 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 132.84 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.8 ptp -148.85 -164.9 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -126.8 160.66 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -163.23 170.68 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.09 40.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.468 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 159.98 -113.42 0.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.516 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 53.1 mt -141.36 120.27 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.15 117.82 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.95 155.2 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 150.75 6.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.98 45.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.79 135.58 45.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.9 p -58.76 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 18.8 mt 50.03 38.67 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.4 p -83.83 22.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.48 -8.51 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -174.64 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -115.64 169.87 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -101.94 137.91 39.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.64 -171.37 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -95.39 131.06 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.88 48.16 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.0 t -81.33 163.63 22.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.4 m -74.29 -57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.9 89.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -151.88 76.09 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.56 30.85 26.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.71 80.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.8 p -55.4 177.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 p -134.95 157.98 45.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -171.32 83.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.11 108.91 1.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -135.97 151.74 50.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -74.66 131.31 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -79.94 168.31 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.96 147.97 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.14 -30.22 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.04 -40.02 16.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 m -49.39 128.15 16.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.0 t -124.79 -8.18 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -135.92 162.93 31.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.77 155.16 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.64 140.8 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -127.9 118.34 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -119.69 107.34 13.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -103.54 97.74 7.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.841 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.69 101.47 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -87.86 97.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 49.9 m -84.63 106.27 16.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -90.26 129.84 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.8 ttp -157.92 150.3 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -93.58 155.9 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -158.34 172.0 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -93.21 55.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 142.0 -109.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 -179.918 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.1 mt -141.6 129.35 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.46 109.57 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.19 160.84 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.82 148.31 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -91.1 45.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 137.87 48.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.5 p -60.11 133.65 56.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.02 36.47 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.76 22.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -102.19 -3.82 26.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.9 -173.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.78 -171.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -110.23 132.14 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 41.2 m -143.42 -174.24 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -86.2 132.24 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.47 25.36 9.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -85.01 168.46 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -96.78 24.6 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.95 -98.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.11 21.0 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.46 31.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.23 49.46 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 3.4 t -54.51 138.93 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 p -106.5 137.26 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.72 91.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.76 109.51 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -122.01 170.22 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -75.54 131.85 40.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.34 -175.62 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.38 147.48 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -50.05 -37.21 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.19 -31.9 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -72.14 120.1 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.45 15.94 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -146.12 163.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.42 139.3 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.3 t -116.11 110.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.68 92.6 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 31.6 p -92.7 110.81 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -119.73 109.84 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.84 0.267 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.6 137.7 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.84 147.58 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.7 m -146.07 116.91 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 115.77 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 ttp -137.38 153.21 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.76 156.14 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -165.39 171.58 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.2 mp -92.03 51.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.92 -119.92 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.912 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.7 mt -145.44 113.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -108.15 102.52 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 28.3 m -102.89 152.27 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 151.82 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.94 44.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.21 134.56 45.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.7 p -56.74 133.45 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.5 mt 47.85 41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.67 21.65 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -109.2 -7.56 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -174.8 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.64 -178.33 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -98.18 135.34 39.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.6 m -146.0 -176.76 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -95.87 130.95 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -126.6 38.48 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.58 155.78 25.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.8 m -73.67 -5.89 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.53 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -139.9 45.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.95 2.83 18.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.46 30.44 2.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 30.1 p -56.96 -178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -145.98 136.71 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.98 102.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.56 125.56 7.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.2 t -137.72 162.81 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -75.86 135.51 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.4 m -90.69 162.74 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.48 145.88 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -51.62 -33.01 31.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.6 -42.3 61.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -71.08 116.29 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.1 m -122.26 27.44 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -144.12 157.51 44.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.0 m -106.71 133.06 51.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.93 145.31 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.06 111.28 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.7 p -109.3 168.41 9.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.51 114.82 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.774 0.239 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.0 107.22 7.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.82 155.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.5 m -156.43 120.13 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 144.17 43.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.6 ptp -160.98 -170.75 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.71 159.45 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.13 174.01 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.95 38.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.02 -109.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.659 0.743 . . . . 0.0 110.897 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 35.8 mm -128.14 147.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -135.48 103.71 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.51 124.24 46.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 140.03 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.42 47.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 136.09 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 18.5 m -61.43 132.18 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.9 mt 54.43 35.81 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -80.86 20.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -20.49 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -85.54 -178.46 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.39 -177.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -109.26 134.2 52.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.6 m -144.29 -179.8 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -89.9 135.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -129.58 27.21 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.24 168.15 17.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.2 m -74.55 -52.69 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.96 -104.64 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 59.52 48.9 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.15 -17.92 26.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.68 42.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -53.62 142.73 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -108.21 148.2 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -174.76 73.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.15 101.51 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 177.65 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 141.45 41.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.2 m -97.33 168.86 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 148.35 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -49.95 -45.1 50.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.56 -40.05 94.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.7 p -79.39 99.25 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 15.18 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -132.36 176.96 7.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.4 m -119.27 142.08 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -130.0 147.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -136.69 142.32 43.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.3 p -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -118.07 141.93 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.827 0.261 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.16 140.28 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.04 92.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -96.66 126.49 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 151.11 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 -164.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.33 166.86 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -165.99 175.55 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.1 mt -83.46 19.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.69 100.06 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.842 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.805 0.336 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 44.7 mt -100.65 148.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -124.26 113.83 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.36 108.72 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.04 135.71 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.22 46.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.81 134.69 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 5.4 p -57.35 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 30.7 mt 51.13 44.23 28.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.02 20.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.07 0.02 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -174.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.3 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.07 166.92 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -96.06 137.52 35.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.0 m -146.39 -177.28 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.65 119.27 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -113.65 43.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.62 158.93 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -57.98 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.05 93.13 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -152.54 80.64 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.63 27.22 47.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.47 39.77 49.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.2 -177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 p -147.52 159.04 44.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -174.93 78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.59 103.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.2 175.07 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 145.52 37.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.94 177.05 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.45 142.93 46.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -48.94 -32.44 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.69 -42.26 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.6 p -79.93 119.41 22.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -117.22 19.58 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.493 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 25.8 m80 -140.98 178.07 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.42 145.99 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.9 t -124.06 122.25 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -110.94 120.99 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.4 p -129.04 129.44 45.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.89 127.78 53.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.767 0.236 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.57 99.16 4.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.3 t -83.79 100.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.37 104.33 16.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -112.16 146.83 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 ptp -163.27 -167.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.64 153.73 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -159.92 170.09 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.03 43.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.493 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 152.1 -114.09 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.429 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.04 130.68 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.5 m -101.56 161.18 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.17 142.73 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -89.78 36.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.47 139.8 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 15.5 p -60.99 134.36 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 173' ' ' ASN . 62.0 mt 50.16 36.1 11.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.3 p -80.65 21.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -90.07 -21.49 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -143.11 149.97 38.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pt -99.57 177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -98.99 133.71 42.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 59.8 m -146.22 -170.54 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -96.05 126.46 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -122.93 39.12 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.36 131.67 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -105.49 8.21 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.77 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -145.86 -172.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.67 29.94 13.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.78 26.23 38.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.1 t -46.21 139.4 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -133.89 160.2 38.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -174.55 95.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.33 110.71 1.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.56 140.46 35.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 151.66 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.03 159.57 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.01 146.54 32.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -49.98 -31.78 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.41 -43.76 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -72.38 120.16 17.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.9 t -116.38 -0.93 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -131.68 167.11 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 m -110.01 149.66 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.32 128.31 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -113.96 116.59 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.7 p -115.25 142.47 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.18 113.13 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.802 0.251 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.45 123.07 29.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.77 116.67 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 83.5 m -120.54 117.66 28.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -109.01 149.0 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.81 -163.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.9 m -134.15 147.95 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -165.94 171.95 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.77 61.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.44 175.91 16.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 110.88 -179.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.7 131.34 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -137.24 114.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.75 164.74 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.37 151.66 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.98 37.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.46 136.97 54.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.3 p -59.34 134.15 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 65.7 mt 48.27 38.38 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.89 21.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -103.89 2.75 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -63.05 134.1 55.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.1 pt -139.13 176.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -93.93 138.29 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 72.5 m -146.83 167.42 23.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -91.43 94.53 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -87.52 73.97 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.34 153.16 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -74.22 -64.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.61 68.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -153.34 101.81 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.35 33.65 32.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.59 47.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.7 p -56.08 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 p -115.17 161.73 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.73 86.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.4 100.48 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 m -126.37 147.91 49.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -73.28 124.83 26.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.2 m -74.86 167.48 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 142.34 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -50.73 -34.93 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.97 -32.83 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -78.74 123.26 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 17.01 12.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.549 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 14.9 m80 -140.19 158.85 43.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.57 152.0 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.84 157.0 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.7 m -135.22 139.75 44.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.4 p -131.99 106.26 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -99.91 113.78 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.855 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.846 0.269 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.68 137.8 34.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.9 90.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 46.3 m -86.17 141.86 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -127.01 150.74 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.73 -172.89 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 13.3 m -125.69 151.13 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -155.0 173.32 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.5 mt -90.9 46.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.549 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 151.44 -112.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.869 0.366 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 60.4 mt -119.6 113.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -114.62 102.71 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 8.1 m -109.37 157.92 18.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.75 143.26 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -89.97 47.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.07 137.28 42.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.8 p -59.23 133.78 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 22.8 mt 50.23 38.45 17.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -81.5 21.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -16.33 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -174.65 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.3 pt -115.13 179.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -105.53 134.82 48.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -146.23 -175.43 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.66 129.68 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -124.11 39.48 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.7 160.05 21.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.7 m -74.12 -6.5 48.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.32 126.36 0.11 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -160.47 43.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.63 35.03 5.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.71 30.69 4.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.4 t -51.27 160.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 p -140.38 137.03 33.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -174.74 82.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.07 106.64 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.6 t -124.2 170.14 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.02 144.13 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.7 156.93 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 141.37 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -29.38 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.4 -39.12 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -75.17 112.33 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.28 24.89 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -148.16 171.94 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.9 m -124.26 149.75 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.89 135.53 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -131.12 94.7 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -107.37 175.98 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.69 138.04 24.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.834 0.264 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.81 136.33 33.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.84 162.69 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -151.71 109.07 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -104.2 137.87 41.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.8 -174.74 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.09 157.33 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -165.63 171.09 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.6 41.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.89 -117.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 mp -125.98 136.95 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.11 101.3 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 11.1 m -111.37 167.28 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -171.01 152.32 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -91.75 49.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.31 136.86 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.4 p -59.85 134.29 56.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 36.4 mt 50.89 36.44 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -83.1 22.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.05 -11.18 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -173.74 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.306 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 pt -90.89 174.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -101.03 137.67 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.96 -178.71 6.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -95.96 115.96 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -108.63 58.83 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.82 151.63 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -85.68 -23.67 27.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.41 -153.29 24.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 68.5 74.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.05 22.53 75.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.17 67.53 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.61 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -126.08 137.6 53.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -170.73 95.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 104.55 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -116.34 156.83 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -74.96 122.86 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.1 m -78.4 166.21 22.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.62 142.9 32.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -47.85 -36.34 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -85.51 -34.69 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -71.1 95.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.07 20.67 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -142.21 157.05 45.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.69 157.43 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.9 t -137.08 139.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 m -124.22 108.28 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.3 p -113.52 170.64 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -145.09 118.79 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.207 0 CA-C-O 120.831 0.263 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.24 105.87 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.31 157.71 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -155.56 118.48 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.22 156.13 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.43 -168.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 10.0 m -135.12 154.8 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -166.36 174.59 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.82 42.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 163.87 -111.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.838 -179.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.5 mt -142.86 143.6 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.24 117.36 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.059 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.63 149.44 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.06 148.24 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.34 45.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.6 p -62.06 135.41 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 173' ' ' ASN . 54.1 mt 49.84 34.87 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.45 21.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 171' ' ' LEU . 7.8 m-20 -97.99 2.6 49.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -61.82 -178.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.5 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.711 0.291 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.54 159.38 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -86.28 139.13 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 61.5 m -144.76 170.47 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.54 121.73 35.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.05 58.73 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -80.72 146.2 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -74.53 -46.19 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.77 -139.2 7.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 65.86 60.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.56 -17.69 58.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.36 51.41 1.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.5 p -56.56 -178.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.7 p -125.27 149.71 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -171.63 91.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.1 113.26 4.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 p -133.78 145.03 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -75.63 133.16 40.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.82 177.57 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 154.63 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -49.43 -35.71 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.72 -46.94 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.2 134.41 46.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.6 m -136.12 7.39 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -131.77 151.96 51.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.1 m -97.98 127.56 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.2 145.71 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.2 m -141.75 133.72 27.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.0 p -144.73 166.24 25.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -172.28 179.68 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.83 0.263 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.85 144.25 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.3 t -142.19 106.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.7 m -110.47 128.19 55.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.73 147.0 52.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 -162.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.68 163.33 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -165.82 163.23 18.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mt -93.0 54.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 144.22 -15.26 2.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 47.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -140.58 148.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -150.05 106.25 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 80.2 m -103.15 130.03 50.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.82 135.71 8.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -90.28 45.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.46 136.89 54.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.3 p -54.89 122.05 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 29.5 mt 54.6 49.1 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.9 p -81.09 19.1 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -17.2 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -175.46 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 pt -134.63 174.97 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -101.49 136.7 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 51.0 m -145.92 -170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.41 139.01 32.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -138.72 29.05 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.55 163.29 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.83 170.85 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.7 126.06 8.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -164.4 26.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.74 -4.25 7.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.39 46.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.4 t -52.11 157.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 p -134.5 133.05 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -174.67 102.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.81 114.08 3.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 t -127.37 166.51 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -75.67 136.6 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.22 162.14 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 148.44 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -30.82 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -38.69 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 p -114.9 -4.25 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.1 178.07 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -122.19 148.91 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.78 134.91 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.7 m -123.41 113.26 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.8 p -102.37 130.94 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.14 101.42 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.804 0.252 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.44 153.41 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.22 160.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.4 m -156.94 111.87 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.09 140.97 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -174.16 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.04 153.3 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.01 167.33 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.2 mt -84.23 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 126.43 -117.18 2.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 123.36 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -93.8 92.88 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.58 130.62 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 143.88 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -91.44 44.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.32 137.91 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.4 p -59.11 134.48 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 32.2 mt 49.22 38.96 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.35 21.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -104.78 -10.53 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -70.36 -172.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -100.63 171.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -94.12 131.62 39.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.7 m -146.61 -175.26 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -95.23 132.15 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.85 34.77 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.38 159.75 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 85.3 m -74.62 -45.02 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.35 125.0 3.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -163.63 64.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.63 37.48 57.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 107.05 37.96 2.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.01 162.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 p -150.24 141.61 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -175.57 77.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.75 105.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 t -132.01 161.05 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -76.46 132.87 39.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.56 171.9 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.53 144.81 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -48.98 -32.45 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.29 -49.9 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 m -76.46 111.45 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.9 p -116.58 0.41 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.53 146.45 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.66 135.45 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.51 147.62 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -140.39 130.5 24.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 p -130.57 147.88 52.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.28 128.45 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.846 0.269 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 139.55 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.3 t -134.5 103.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.7 m -98.12 129.12 44.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 141.18 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -165.72 179.36 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.0 m -117.36 168.44 10.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -166.17 165.8 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.8 mt -91.27 62.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 140.44 -5.01 2.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.3 mt -134.11 139.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.37 115.74 22.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.12 129.49 55.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.68 141.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -91.33 41.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 140.92 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.38 133.57 55.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 31.1 mt 50.82 36.13 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 10.9 p -83.76 20.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -104.0 -10.29 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -176.18 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.8 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.65 174.31 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -113.09 138.6 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.0 m -145.21 -175.13 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -90.48 124.26 34.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -124.87 44.22 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.35 168.12 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -78.96 -47.93 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.85 -119.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 64.72 43.4 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.33 21.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.99 35.04 6.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 4.0 t -51.23 142.24 13.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -113.23 156.34 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.83 89.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.45 100.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.6 t -122.21 162.88 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 136.02 52.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.5 m -98.45 163.87 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 142.1 41.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -50.82 -39.97 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.33 -38.51 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.1 p -74.12 114.5 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.51 16.23 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.519 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 18.9 m80 -139.14 168.17 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.64 150.22 44.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.1 t -138.25 154.36 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.0 m -150.91 141.38 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.4 p -140.43 124.2 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.12 107.02 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.827 0.261 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.39 137.24 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.03 100.98 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.8 m -96.94 125.8 41.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -118.63 148.36 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -173.21 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.06 156.0 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -165.47 176.07 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.9 mt -90.1 45.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.519 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 131.83 -175.06 19.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.89 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.4 mt -107.18 143.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -129.04 112.33 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -116.09 148.57 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.39 149.3 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -91.26 46.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.81 135.86 45.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.66 134.03 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.4 mt 49.82 38.51 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.13 22.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -106.16 -11.88 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 129.85 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 18.3 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.07 178.17 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -107.78 136.41 47.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 27.1 m -144.58 -172.51 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -95.54 125.06 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.86 40.87 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.02 167.36 18.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -48.53 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.06 110.94 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -157.18 85.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.21 47.22 55.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.17 50.17 3.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.62 164.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 p -147.43 131.38 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -174.45 85.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.08 109.7 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.7 m -126.0 161.99 26.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -75.58 126.12 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.55 166.39 18.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 140.35 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -33.52 22.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.12 -34.52 37.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -72.86 123.78 24.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.8 m -123.65 16.37 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -141.83 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.43 154.02 31.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.39 147.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -143.34 102.74 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.2 p -100.36 132.89 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.62 141.69 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.813 0.255 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.11 136.65 32.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.38 98.7 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.3 m -88.12 124.63 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 143.68 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ptp -158.07 -168.71 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.64 151.43 50.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -165.8 172.95 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.12 43.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 166.23 -118.25 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.9 mm -100.03 106.36 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -89.68 95.62 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 95.8 m -107.6 136.41 47.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.67 146.38 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -91.58 46.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.73 137.12 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.2 t -58.77 133.78 56.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 mt 50.05 38.99 18.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.22 22.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.68 -13.43 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -174.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.2 pt -141.99 176.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -100.06 136.4 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 60.1 m -146.0 -172.1 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -95.74 124.46 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -120.73 42.96 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 165.47 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -78.28 -55.32 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.01 -115.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 62.63 40.4 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.51 -20.27 11.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.13 41.76 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.3 p -55.09 176.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.3 p -127.86 155.14 44.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -174.9 92.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 106.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 m -125.21 154.71 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -73.68 124.86 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.9 m -74.92 -173.84 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.57 144.81 33.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -52.69 -31.21 36.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.93 -34.67 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.4 p -78.85 118.5 20.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -117.73 22.14 12.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -142.84 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -113.64 152.79 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.18 144.15 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 71.6 m -130.98 113.68 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.9 p -108.68 107.02 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.13 104.59 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.7 t -160.04 174.35 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.36 -177.28 4.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.8 -174.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.45 -18.95 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.05 137.68 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.19 -7.7 57.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.81 102.96 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -135.85 149.55 49.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -95.21 -25.17 16.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.2 pp -147.16 157.71 45.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.5 69.35 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 139.55 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.51 95.63 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.4 m -97.04 119.92 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -109.47 149.63 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.12 -167.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.79 157.24 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -165.51 172.61 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.65 43.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.23 -111.67 0.49 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.5 t -164.76 75.98 1.48 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.741 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.66 133.04 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 44.8 mt -145.86 77.56 12.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 53.8 p -66.88 -14.39 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.74 -15.35 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -135.61 -122.01 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.0 -1.19 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 118.81 -85.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -163.44 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 45.09 36.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.78 135.48 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.89 132.9 55.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.87 120.69 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.69 104.28 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.13 166.52 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.3 151.47 5.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -92.26 49.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.92 136.65 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 80.4 p -58.21 134.65 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 54.8 mt 47.39 39.47 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.34 22.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -103.41 3.22 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -63.56 -177.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.733 0.301 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 pt -135.99 179.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -103.32 134.8 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 56.1 m -143.85 -172.39 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -95.47 122.09 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.77 37.17 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.38 168.09 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -88.08 -53.04 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.62 -118.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 63.96 43.17 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.76 0.32 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.54 46.74 4.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.44 178.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.1 p -125.81 150.63 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -176.02 87.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.57 110.83 3.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -132.44 164.57 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -76.72 142.15 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 76.3 m -88.43 -174.08 4.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.74 145.01 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -50.49 -30.23 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.93 -42.43 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.8 p -72.64 138.55 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.92 7.47 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -133.49 177.2 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -127.29 136.23 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.69 141.71 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.2 m -129.13 102.48 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.9 p -101.77 106.73 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.12 104.53 14.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.8 p -115.38 167.6 10.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.96 174.0 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.79 103.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.81 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.39 136.77 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -64.93 -17.13 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 13.3 t -64.37 -15.23 60.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -136.89 133.97 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -95.25 -63.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.57 153.28 78.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.82 55.32 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -75.78 137.42 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.11 98.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.6 m -96.6 123.42 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -111.43 137.34 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -157.37 -169.08 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -123.16 154.75 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.73 164.99 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.5 mt -90.74 45.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.79 -119.2 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.2 t -163.49 73.42 1.87 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 178.89 4.08 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -118.72 134.21 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 45.7 mt -137.3 74.19 48.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.28 34.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.326 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.6 p -67.66 -20.66 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 23.7 mt -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -99.8 -124.42 5.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.87 -40.33 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -141.48 -161.6 8.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -30.55 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.629 2.219 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.77 107.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.52 -174.68 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.8 m -110.75 105.78 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.56 124.84 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.13 108.91 10.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.69 152.45 35.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.04 153.37 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.05 48.78 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.78 136.7 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.3 t -59.72 135.02 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 34.8 mt 48.85 37.51 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.4 p -81.2 22.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.85 -22.6 17.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -143.68 139.13 29.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.317 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.65 -174.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -104.14 130.58 51.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 59.9 m -146.27 178.22 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.92 132.04 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -126.63 32.75 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.35 125.21 30.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -106.12 26.63 9.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.46 -128.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -148.03 -176.04 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.56 29.18 11.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.01 28.13 38.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 33.0 t -42.47 136.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 p -132.3 157.55 44.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -174.48 99.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.98 111.27 3.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -132.23 161.58 33.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -75.68 123.88 26.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.26 -174.92 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.31 145.56 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -50.33 -31.31 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.52 -42.55 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -75.41 120.1 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.3 m -118.98 10.23 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -138.72 161.39 37.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -108.53 158.13 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.36 140.81 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -119.9 114.58 22.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 p -121.33 146.26 47.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -148.95 132.71 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -98.65 123.66 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -74.58 116.16 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.55 109.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -31.97 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 p -95.35 -78.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 55.2 22.75 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 p 53.86 24.63 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -146.49 -177.17 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -95.23 -0.15 53.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.93 158.96 51.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -174.39 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -101.26 135.14 43.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.14 120.66 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.6 m -128.71 142.87 50.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm -122.25 152.87 39.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -163.22 -168.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -125.17 157.88 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -165.51 166.43 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.2 mt -91.38 41.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.55 -112.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t -165.15 78.79 1.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.3 68.2 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.739 2.293 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -83.76 -49.84 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 57.9 mt 50.54 77.1 0.48 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.7 26.76 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.1 m -68.03 -18.43 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.3 mt -75.37 -27.29 59.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -159.0 -122.39 0.66 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -43.15 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 150.09 -70.17 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.96 11.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.86 -62.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.8 126.02 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.7 p -87.42 148.72 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 74.3 mt -143.24 115.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.77 113.18 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.9 m -111.86 164.67 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.69 149.51 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -91.23 46.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 137.35 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 33.0 p -58.24 134.53 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 33.7 mt 47.3 39.52 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.5 p -82.69 22.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -104.2 -3.02 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -143.27 146.25 33.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.7 pt -137.37 179.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -97.84 132.21 43.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 61.2 m -146.33 179.97 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -95.45 127.78 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -125.33 39.33 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.73 165.97 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.11 -177.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.96 -133.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 66.82 31.84 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.37 7.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.56 14.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.9 p -58.02 167.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 p -108.37 148.6 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -175.14 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.51 118.05 5.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 p -138.88 152.12 47.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -75.54 135.0 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.57 168.51 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 146.88 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -50.74 -39.76 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.81 -35.4 62.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.555 ' HG ' ' N ' ' A' ' 147' ' ' HIS . 1.4 t -78.38 115.96 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.03 26.39 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -145.05 157.99 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.27 149.84 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.9 t -133.95 147.6 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.0 m -132.25 127.01 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 72.2 p -119.14 100.12 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.19 103.16 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 t -106.14 134.37 49.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -90.34 114.88 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.26 93.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 tp -78.95 120.93 24.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.7 145.67 31.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.07 -17.46 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.0 t -99.03 -19.06 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -105.72 131.17 53.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.24 160.96 47.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -164.25 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.37 100.17 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.3 t -104.72 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 99.6 m -100.18 134.72 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -116.15 157.4 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 ptp -162.28 -166.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.03 157.4 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.555 ' N ' ' HG ' ' A' ' 122' ' ' SER . 11.3 t60 -166.0 175.15 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.4 mt -91.25 42.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 150.37 -111.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 34.1 t -146.6 85.6 7.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 77.53 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.7 107.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.99 81.72 62.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.91 22.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 17.7 p -70.62 -21.63 62.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.78 -16.49 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 158.23 87.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.71 -25.6 26.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -47.76 -68.62 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.03 15.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.284 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 64.16 63.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.63 129.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.5 m -91.58 132.81 36.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.12 143.82 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -127.61 100.15 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.37 133.75 52.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.72 146.84 26.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 36.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.49 135.39 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.4 p -57.76 133.49 55.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.8 mt 48.68 39.86 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.0 p -81.34 22.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -104.95 4.86 32.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -63.4 -175.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.717 0.294 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.4 pt -88.46 175.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -93.82 135.54 35.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -145.78 174.06 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -94.62 105.03 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.04 44.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 t -87.47 170.81 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.5 m -73.42 -82.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 163.84 -98.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 59.51 24.04 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.98 -26.15 4.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.42 43.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.7 t -50.49 157.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 p -141.28 147.99 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -174.35 90.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.68 100.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -129.14 144.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 152.41 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -103.79 -178.98 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 159.91 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -48.6 -46.14 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -38.56 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.7 m -69.45 107.28 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 t -116.85 1.13 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -136.41 166.78 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.01 158.1 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.9 t -137.39 141.13 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.9 m -128.94 91.84 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.7 p -98.98 151.86 20.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 118.23 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.4 p -150.85 165.63 33.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -133.64 123.87 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -104.22 -22.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -140.72 121.16 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -95.19 -3.23 48.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.39 0.19 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.4 t -105.33 -32.78 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -155.89 147.78 23.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.14 -30.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.37 154.09 39.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.5 69.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 140.4 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.43 160.85 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.3 m -159.98 113.2 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.89 140.72 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -162.41 -177.02 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.47 157.15 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -165.47 173.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.2 48.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.84 -121.25 1.98 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.5 t -164.35 77.53 1.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.65 26.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.8 110.42 22.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 29.5 mt -133.2 82.84 52.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 111.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -6.74 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.299 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 11.2 m -63.72 -24.09 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.63 -22.83 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -116.14 -123.92 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.77 -65.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 159.1 -67.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.55 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -113.62 133.55 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.8 139.11 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.01 119.78 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.75 144.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.48 99.72 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 15.3 m -108.39 165.23 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.83 150.6 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -91.16 45.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.67 138.02 49.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 76.1 p -60.53 134.53 57.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 41.0 mt 50.13 36.52 12.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.14 22.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -105.3 -12.31 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 130.03 41.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.83 169.87 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -95.13 132.82 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 15.2 m -141.53 -174.83 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -96.13 109.32 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.42 34.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.3 167.99 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.405 ' HB ' ' CD2' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -103.36 170.72 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.8 98.38 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' CD2' ' HB ' ' A' ' 107' ' ' THR . 66.0 m-85 -155.02 42.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.68 11.58 9.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.26 27.99 56.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.7 p -56.37 172.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.1 p -133.48 165.99 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -175.06 82.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.63 101.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -128.37 161.33 29.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -76.06 129.47 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 88.8 m -74.86 -177.6 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.7 140.04 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -47.76 -32.25 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.27 -47.25 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -72.3 115.28 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -106.4 16.39 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.468 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 5.4 m80 -146.94 172.83 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.23 143.39 46.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -120.4 152.87 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 m -134.2 122.03 22.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.5 p -121.84 112.39 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -111.8 88.42 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p -81.25 149.31 29.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -118.2 139.73 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.94 98.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.94 116.41 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 57.9 m -144.95 138.39 26.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -62.89 -18.2 62.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -102.67 178.13 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -76.98 81.8 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.77 -43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mt 63.27 152.99 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 155.09 66.99 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.81 82.83 2.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 90.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.8 m -97.81 131.01 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 132.84 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.8 ptp -148.85 -164.9 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -126.8 160.66 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -163.23 170.68 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.09 40.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.468 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 159.98 -113.42 0.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.516 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 44.8 t -157.22 82.16 3.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.79 59.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 -74.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 5.3 mp 47.33 77.9 0.43 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.6 24.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 45.3 p -68.19 -16.37 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.88 -26.65 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -97.09 -112.17 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.5 pp -126.29 -37.54 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 157.95 -94.65 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -48.9 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -88.07 116.41 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.8 p -161.83 122.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.5 m -82.93 128.67 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 53.1 mt -141.36 120.27 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.15 117.82 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.95 155.2 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 150.75 6.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.98 45.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.79 135.58 45.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.9 p -58.76 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 18.8 mt 50.03 38.67 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.4 p -83.83 22.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.48 -8.51 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -174.64 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -115.64 169.87 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -101.94 137.91 39.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.64 -171.37 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -95.39 131.06 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.88 48.16 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.0 t -81.33 163.63 22.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.4 m -74.29 -57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.9 89.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -151.88 76.09 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.56 30.85 26.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.71 80.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.8 p -55.4 177.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 p -134.95 157.98 45.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -171.32 83.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.11 108.91 1.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -135.97 151.74 50.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -74.66 131.31 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -79.94 168.31 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.96 147.97 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.14 -30.22 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.04 -40.02 16.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 m -49.39 128.15 16.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.0 t -124.79 -8.18 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -135.92 162.93 31.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.77 155.16 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.64 140.8 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -127.9 118.34 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -119.69 107.34 13.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -103.54 97.74 7.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.0 t -107.93 141.75 39.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -63.79 177.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.66 108.31 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.94 -24.46 67.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 m -62.63 121.35 13.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -64.6 -14.41 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.9 p -64.28 -15.29 59.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -134.18 123.8 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -82.49 -34.21 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.71 158.75 33.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 164.65 33.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.69 101.47 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -87.86 97.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 49.9 m -84.63 106.27 16.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -90.26 129.84 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.8 ttp -157.92 150.3 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -93.58 155.9 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -158.34 172.0 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -93.21 55.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 142.0 -109.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.8 t -165.29 85.55 1.04 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.4 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.26 . . . . 0.0 112.396 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -108.8 10.81 26.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 90.3 mt -41.73 103.64 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -9.42 26.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 38.1 t -65.76 -17.24 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.14 -27.66 68.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -137.8 -126.36 2.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.54 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 153.32 -69.43 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.91 13.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -123.13 95.39 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 67.5 t -150.05 139.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 t -98.79 137.82 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.1 mt -141.6 129.35 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.46 109.57 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.19 160.84 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.82 148.31 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -91.1 45.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 137.87 48.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.5 p -60.11 133.65 56.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.02 36.47 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.76 22.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -102.19 -3.82 26.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.9 -173.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.78 -171.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -110.23 132.14 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 41.2 m -143.42 -174.24 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -86.2 132.24 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.47 25.36 9.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -85.01 168.46 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -96.78 24.6 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.95 -98.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.11 21.0 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.46 31.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.23 49.46 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 3.4 t -54.51 138.93 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 p -106.5 137.26 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.72 91.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.76 109.51 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -122.01 170.22 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -75.54 131.85 40.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.34 -175.62 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.38 147.48 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -50.05 -37.21 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.19 -31.9 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -72.14 120.1 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.45 15.94 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -146.12 163.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.42 139.3 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.3 t -116.11 110.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.68 92.6 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 31.6 p -92.7 110.81 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -119.73 109.84 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.9 p -117.5 135.48 53.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -75.2 151.71 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.85 98.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tp -64.48 122.72 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.58 144.99 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.93 -17.74 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.6 p -147.98 72.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -125.09 138.01 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -95.75 -29.07 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.4 pp -156.06 156.32 30.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -177.31 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.6 137.7 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.84 147.58 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.7 m -146.07 116.91 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 115.77 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 ttp -137.38 153.21 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.76 156.14 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -165.39 171.58 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.2 mp -92.03 51.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.92 -119.92 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.8 t -165.26 76.25 1.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.5 45.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.96 112.06 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 21.5 mt -143.42 84.34 10.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.63 14.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 39.6 m -58.8 -26.86 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.35 31.59 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -145.08 -125.28 1.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.3 tt -114.44 -12.41 12.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 113.96 -98.02 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.94 2.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -96.78 93.63 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 4.1 p -147.61 119.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.3 t -96.87 144.06 27.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.7 mt -145.44 113.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -108.15 102.52 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 28.3 m -102.89 152.27 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 151.82 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.94 44.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.21 134.56 45.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.7 p -56.74 133.45 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.5 mt 47.85 41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.67 21.65 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -109.2 -7.56 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -174.8 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.64 -178.33 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -98.18 135.34 39.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.6 m -146.0 -176.76 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -95.87 130.95 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -126.6 38.48 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.58 155.78 25.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.8 m -73.67 -5.89 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.53 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -139.9 45.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.95 2.83 18.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.46 30.44 2.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 30.1 p -56.96 -178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -145.98 136.71 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.98 102.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.56 125.56 7.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.2 t -137.72 162.81 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -75.86 135.51 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.4 m -90.69 162.74 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.48 145.88 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -51.62 -33.01 31.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.6 -42.3 61.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -71.08 116.29 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.1 m -122.26 27.44 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -144.12 157.51 44.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.0 m -106.71 133.06 51.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.93 145.31 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.06 111.28 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.7 p -109.3 168.41 9.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.51 114.82 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.3 p -102.23 -177.44 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -113.83 -77.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.99 93.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 48.7 tp -96.84 -81.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 t -98.52 -39.22 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.01 -38.21 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 10.2 p 50.46 32.78 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.94 -176.13 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.59 -34.67 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 158.18 34.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -176.41 1.49 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.0 107.22 7.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.82 155.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.5 m -156.43 120.13 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 144.17 43.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.6 ptp -160.98 -170.75 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.71 159.45 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.13 174.01 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.95 38.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.02 -109.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 46.5 t -165.32 77.26 1.33 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.659 0.743 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.54 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -134.26 140.85 46.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 24.8 mm -137.07 75.67 47.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.25 34.39 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 31.4 t -72.81 -8.64 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.34 0.65 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 85.87 93.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.415 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -112.05 -14.87 13.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 42.76 -102.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -46.97 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.328 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -158.55 146.45 18.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.7 p -93.93 140.57 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 m -100.77 111.68 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 35.8 mm -128.14 147.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -135.48 103.71 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.51 124.24 46.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 140.03 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.42 47.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 136.09 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 18.5 m -61.43 132.18 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.9 mt 54.43 35.81 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -80.86 20.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -20.49 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -85.54 -178.46 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.39 -177.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -109.26 134.2 52.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.6 m -144.29 -179.8 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -89.9 135.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -129.58 27.21 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.24 168.15 17.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.2 m -74.55 -52.69 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.96 -104.64 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 59.52 48.9 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.15 -17.92 26.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.68 42.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -53.62 142.73 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -108.21 148.2 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -174.76 73.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.15 101.51 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 177.65 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 141.45 41.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.2 m -97.33 168.86 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 148.35 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -49.95 -45.1 50.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.56 -40.05 94.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.7 p -79.39 99.25 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 15.18 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -132.36 176.96 7.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.4 m -119.27 142.08 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -130.0 147.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -136.69 142.32 43.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.3 p -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -118.07 141.93 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.93 120.1 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -77.51 -7.04 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.1 t 65.42 50.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -67.61 -23.7 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -81.04 -6.11 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.2 t30 61.97 19.47 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.7 p -78.73 -1.2 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -143.09 165.18 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -95.88 -14.03 23.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.99 160.15 50.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 132.22 22.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.16 140.28 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.04 92.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -96.66 126.49 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 151.11 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 -164.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.33 166.86 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -165.99 175.55 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.1 mt -83.46 19.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.69 100.06 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 4.6 t 49.22 96.79 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 152.66 69.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.48 12.86 34.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 47.5 mt -111.73 73.34 1.14 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.15 27.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.6 m -68.99 -12.66 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.37 -10.37 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -64.86 -110.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 -34.33 6.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -177.61 -83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.45 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -162.61 -179.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.6 p -170.06 155.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.168 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -74.83 103.83 5.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 44.7 mt -100.65 148.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -124.26 113.83 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.36 108.72 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.04 135.71 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.22 46.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.81 134.69 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 5.4 p -57.35 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 30.7 mt 51.13 44.23 28.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.02 20.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.07 0.02 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -174.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.3 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.07 166.92 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -96.06 137.52 35.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.0 m -146.39 -177.28 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.65 119.27 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -113.65 43.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.62 158.93 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -57.98 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.05 93.13 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -152.54 80.64 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.63 27.22 47.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.47 39.77 49.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.2 -177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 p -147.52 159.04 44.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -174.93 78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.59 103.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.2 175.07 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 145.52 37.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.94 177.05 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.45 142.93 46.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -48.94 -32.44 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.69 -42.26 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.6 p -79.93 119.41 22.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -117.22 19.58 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.493 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 25.8 m80 -140.98 178.07 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.42 145.99 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.9 t -124.06 122.25 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -110.94 120.99 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.4 p -129.04 129.44 45.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.89 127.78 53.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.97 170.11 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -134.77 -175.61 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.26 106.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -12.38 60.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -58.76 146.06 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -60.87 -55.46 32.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.6 t -63.91 122.78 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 50.66 83.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -89.01 5.67 43.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.58 156.76 69.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.03 15.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.707 2.271 . . . . 0.0 112.378 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.57 99.16 4.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.3 t -83.79 100.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.37 104.33 16.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -112.16 146.83 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 ptp -163.27 -167.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.64 153.73 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -159.92 170.09 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.03 43.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.493 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 152.1 -114.09 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.429 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 35.1 t -157.59 85.07 2.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.59 63.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.9 -56.28 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 41.0 mm 49.05 78.17 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -31.0 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 pp -96.99 7.32 46.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 177.24 118.47 0.55 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.68 -24.57 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.3 -164.88 12.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -74.6 -5.02 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.76 133.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.25 133.04 52.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.04 130.68 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.5 m -101.56 161.18 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.17 142.73 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -89.78 36.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.47 139.8 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 15.5 p -60.99 134.36 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 173' ' ' ASN . 62.0 mt 50.16 36.1 11.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.3 p -80.65 21.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -90.07 -21.49 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -143.11 149.97 38.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pt -99.57 177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -98.99 133.71 42.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 59.8 m -146.22 -170.54 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -96.05 126.46 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -122.93 39.12 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.36 131.67 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -105.49 8.21 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.77 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -145.86 -172.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.67 29.94 13.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.78 26.23 38.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.1 t -46.21 139.4 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -133.89 160.2 38.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -174.55 95.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.33 110.71 1.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.56 140.46 35.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 151.66 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.03 159.57 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.01 146.54 32.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -49.98 -31.78 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.41 -43.76 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -72.38 120.16 17.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.9 t -116.38 -0.93 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -131.68 167.11 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 m -110.01 149.66 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.32 128.31 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -113.96 116.59 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.7 p -115.25 142.47 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.18 113.13 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.8 t -121.63 139.27 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -71.52 159.25 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.54 93.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -64.01 -20.58 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 67.8 m -63.97 -15.94 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.9 m120 55.45 22.46 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.3 t -66.98 -20.33 65.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.26 -174.09 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -95.57 -53.71 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 mt -83.05 154.71 67.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 168.26 22.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.45 123.07 29.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.77 116.67 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 83.5 m -120.54 117.66 28.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -109.01 149.0 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.81 -163.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.9 m -134.15 147.95 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -165.94 171.95 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.77 61.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.44 175.91 16.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 3.7 t -108.61 83.2 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 170.81 15.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.23 116.17 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 40.5 mm -124.13 74.25 58.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.0 t -69.01 -28.14 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.07 -1.86 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -179.08 121.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -137.9 -171.87 12.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.94 13.05 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -80.67 3.25 22.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 54.6 t -140.87 128.96 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 53.6 p -119.55 153.08 35.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.7 131.34 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -137.24 114.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.75 164.74 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.37 151.66 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.98 37.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.46 136.97 54.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.3 p -59.34 134.15 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 65.7 mt 48.27 38.38 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.89 21.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -103.89 2.75 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -63.05 134.1 55.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.1 pt -139.13 176.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -93.93 138.29 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 72.5 m -146.83 167.42 23.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -91.43 94.53 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -87.52 73.97 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.34 153.16 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -74.22 -64.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.61 68.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -153.34 101.81 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.35 33.65 32.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.59 47.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.7 p -56.08 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 p -115.17 161.73 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.73 86.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.4 100.48 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 m -126.37 147.91 49.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -73.28 124.83 26.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.2 m -74.86 167.48 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 142.34 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -50.73 -34.93 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.97 -32.83 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -78.74 123.26 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 17.01 12.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.549 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 14.9 m80 -140.19 158.85 43.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.57 152.0 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.84 157.0 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.7 m -135.22 139.75 44.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.4 p -131.99 106.26 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -99.91 113.78 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 13.3 p -140.97 178.75 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -123.55 -177.96 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.6 p -166.1 120.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -96.26 155.21 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.0 t 73.97 1.74 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' THR . 15.4 t-20 -94.33 18.0 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' ASN . 6.9 t 37.0 49.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -124.1 145.66 49.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.69 -75.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.82 154.6 85.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 168.93 20.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.68 137.8 34.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.9 90.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 46.3 m -86.17 141.86 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -127.01 150.74 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.73 -172.89 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 13.3 m -125.69 151.13 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -155.0 173.32 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.5 mt -90.9 46.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.549 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 151.44 -112.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 82.85 1.87 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.365 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.24 13.82 26.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 71.1 mt -39.44 102.84 0.26 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.41 16.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.5 m -67.13 -10.77 53.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.4 mp -88.85 17.84 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 94.55 78.67 1.42 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.02 -41.95 58.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 46.36 -162.64 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -166.75 102.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.6 p -87.27 139.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.28 112.02 20.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 60.4 mt -119.6 113.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -114.62 102.71 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 8.1 m -109.37 157.92 18.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.75 143.26 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -89.97 47.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.07 137.28 42.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.8 p -59.23 133.78 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 22.8 mt 50.23 38.45 17.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -81.5 21.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -16.33 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -174.65 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.3 pt -115.13 179.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -105.53 134.82 48.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 59.7 m -146.23 -175.43 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.66 129.68 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -124.11 39.48 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.7 160.05 21.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.7 m -74.12 -6.5 48.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.32 126.36 0.11 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -160.47 43.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.63 35.03 5.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.71 30.69 4.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.4 t -51.27 160.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 p -140.38 137.03 33.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -174.74 82.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.07 106.64 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.6 t -124.2 170.14 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.02 144.13 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.7 156.93 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 141.37 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -29.38 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.4 -39.12 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -75.17 112.33 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.28 24.89 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -148.16 171.94 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.9 m -124.26 149.75 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.89 135.53 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -131.12 94.7 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -107.37 175.98 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.69 138.04 24.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.7 p -120.35 176.31 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -51.5 161.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.5 t -74.83 65.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.83 -22.98 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 t -71.29 -9.4 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 65.58 14.26 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.7 t -84.02 133.56 34.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -92.34 17.23 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -96.51 -59.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 140' ' ' PRO . 0.4 OUTLIER -145.23 159.85 47.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 54.3 Cg_endo -69.74 -174.51 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.81 136.33 33.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.84 162.69 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -151.71 109.07 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -104.2 137.87 41.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.8 -174.74 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.09 157.33 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -165.63 171.09 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.6 41.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.89 -117.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.4 t -165.84 75.6 1.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -176.65 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.44 110.8 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.42 75.1 69.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -14.58 36.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 58.3 p -70.58 -12.65 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.45 -21.36 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -142.2 -122.76 1.8 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.82 -66.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -171.82 -151.82 8.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.72 21.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -74.72 -14.0 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 30.7 m -58.44 -176.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -120.1 136.83 54.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 mp -125.98 136.95 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.11 101.3 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 11.1 m -111.37 167.28 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -171.01 152.32 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -91.75 49.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.31 136.86 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.4 p -59.85 134.29 56.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 36.4 mt 50.89 36.44 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -83.1 22.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.05 -11.18 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -173.74 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.306 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 pt -90.89 174.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -101.03 137.67 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.96 -178.71 6.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -95.96 115.96 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -108.63 58.83 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.82 151.63 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -85.68 -23.67 27.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.41 -153.29 24.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 68.5 74.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.05 22.53 75.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.17 67.53 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.61 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -126.08 137.6 53.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -170.73 95.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 104.55 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -116.34 156.83 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -74.96 122.86 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.1 m -78.4 166.21 22.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.62 142.9 32.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -47.85 -36.34 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -85.51 -34.69 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -71.1 95.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.07 20.67 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -142.21 157.05 45.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.69 157.43 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.9 t -137.08 139.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 m -124.22 108.28 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.3 p -113.52 170.64 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -145.09 118.79 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.22 150.07 25.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -103.95 146.31 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 14.6 t -148.13 115.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.73 -20.16 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 m -88.68 -23.66 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -105.66 21.22 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.83 81.68 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.37 -86.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.12 -44.25 6.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 140' ' ' PRO . 2.8 mt -142.84 155.08 62.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 54.0 Cg_endo -69.79 -168.46 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.24 105.87 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.31 157.71 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.7 m -155.56 118.48 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.22 156.13 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.43 -168.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 10.0 m -135.12 154.8 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -166.36 174.59 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.82 42.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 163.87 -111.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 50.5 t -155.54 78.15 4.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 76.58 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -49.03 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 88.1 mt 49.01 80.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.21 23.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.8 t -70.27 -23.34 62.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.36 -19.7 63.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.51 -113.62 3.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.66 -45.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.886 0.374 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -158.39 -159.6 9.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.88 37.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -76.8 -8.29 57.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.32 135.25 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 64.4 m -81.16 123.95 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.5 mt -142.86 143.6 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.24 117.36 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.059 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.63 149.44 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.06 148.24 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.34 45.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.6 p -62.06 135.41 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 173' ' ' ASN . 54.1 mt 49.84 34.87 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.45 21.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 171' ' ' LEU . 7.8 m-20 -97.99 2.6 49.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -61.82 -178.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.5 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.711 0.291 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.54 159.38 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -86.28 139.13 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 61.5 m -144.76 170.47 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.54 121.73 35.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.05 58.73 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -80.72 146.2 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -74.53 -46.19 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.77 -139.2 7.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 65.86 60.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.56 -17.69 58.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.36 51.41 1.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.5 p -56.56 -178.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.7 p -125.27 149.71 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -171.63 91.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.1 113.26 4.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 p -133.78 145.03 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -75.63 133.16 40.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.82 177.57 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 154.63 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -49.43 -35.71 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.72 -46.94 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.2 134.41 46.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.6 m -136.12 7.39 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -131.77 151.96 51.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.1 m -97.98 127.56 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.2 145.71 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.2 m -141.75 133.72 27.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.0 p -144.73 166.24 25.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -172.28 179.68 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.8 p -141.16 107.8 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -60.4 154.61 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.5 t -149.47 112.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.32 -25.16 68.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -63.3 122.85 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -88.69 15.28 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 176.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -74.44 -4.43 36.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.93 -39.85 95.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 140' ' ' PRO . 5.1 mt 62.93 154.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 53.2 Cg_endo -69.75 165.17 31.86 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.85 144.25 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.3 t -142.19 106.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.7 m -110.47 128.19 55.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.73 147.0 52.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 -162.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.68 163.33 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -165.82 163.23 18.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mt -93.0 54.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 144.22 -15.26 2.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 47.5 t 51.1 82.79 0.24 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.6 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -92.48 -56.26 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 56.9 mt 48.66 80.63 0.29 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -7.65 21.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.5 t -68.41 -19.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -11.95 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -122.98 -130.45 3.66 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.8 -67.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -119.55 -86.44 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -54.59 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -169.2 -171.28 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.7 p -157.42 -48.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.55 110.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -140.58 148.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -150.05 106.25 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 80.2 m -103.15 130.03 50.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.82 135.71 8.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -90.28 45.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.46 136.89 54.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.3 p -54.89 122.05 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 29.5 mt 54.6 49.1 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.9 p -81.09 19.1 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -17.2 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -175.46 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 pt -134.63 174.97 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -101.49 136.7 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 51.0 m -145.92 -170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.41 139.01 32.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -138.72 29.05 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.55 163.29 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.83 170.85 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.7 126.06 8.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -164.4 26.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.74 -4.25 7.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.39 46.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.4 t -52.11 157.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 p -134.5 133.05 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -174.67 102.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.81 114.08 3.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 t -127.37 166.51 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -75.67 136.6 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.22 162.14 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 148.44 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -30.82 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -38.69 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 p -114.9 -4.25 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.1 178.07 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -122.19 148.91 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.78 134.91 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.7 m -123.41 113.26 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.8 p -102.37 130.94 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.14 101.42 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.8 100.96 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -95.33 124.76 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.52 95.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.32 -26.54 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 71.7 m -73.43 -13.05 61.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.48 -10.67 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.9 p 50.0 32.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -177.99 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -40.67 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 pp -144.88 154.45 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.34 27.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.44 153.41 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.22 160.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.4 m -156.94 111.87 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.09 140.97 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -174.16 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.04 153.3 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.01 167.33 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.2 mt -84.23 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 126.43 -117.18 2.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 2.7 t -166.62 81.53 0.98 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 146.77 60.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.17 120.37 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 56.6 mt -126.62 75.62 74.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.01 37.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.3 m -66.19 -17.08 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.68 -29.35 33.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 161.32 89.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -93.45 -37.39 11.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -50.37 -68.74 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.15 20.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.0 t80 64.64 82.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.49 130.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.0 t -82.75 140.2 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 123.36 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -93.8 92.88 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.58 130.62 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 143.88 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -91.44 44.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.32 137.91 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.4 p -59.11 134.48 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 32.2 mt 49.22 38.96 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.35 21.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -104.78 -10.53 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -70.36 -172.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -100.63 171.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -94.12 131.62 39.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.7 m -146.61 -175.26 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -95.23 132.15 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.85 34.77 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.38 159.75 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 85.3 m -74.62 -45.02 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.35 125.0 3.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -163.63 64.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.63 37.48 57.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 107.05 37.96 2.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.01 162.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 p -150.24 141.61 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -175.57 77.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.75 105.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 t -132.01 161.05 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -76.46 132.87 39.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.56 171.9 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.53 144.81 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -48.98 -32.45 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.29 -49.9 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 m -76.46 111.45 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.9 p -116.58 0.41 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.53 146.45 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.66 135.45 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.51 147.62 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -140.39 130.5 24.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 p -130.57 147.88 52.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.28 128.45 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.04 153.78 16.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -109.92 145.62 36.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.61 98.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.56 131.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -82.89 -56.84 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -85.11 -81.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -178.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -101.99 -46.92 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.61 13.43 8.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mt 62.68 153.47 0.11 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.617 0.722 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 139.55 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.3 t -134.5 103.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.7 m -98.12 129.12 44.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 141.18 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -165.72 179.36 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.0 m -117.36 168.44 10.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -166.17 165.8 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.8 mt -91.27 62.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 140.44 -5.01 2.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t 51.08 77.6 0.45 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -103.92 -26.16 12.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 59.5 mt 48.52 81.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.7 t -68.25 -36.24 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.4 21.12 10.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -142.48 99.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.55 -39.58 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -133.04 -162.15 10.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -91.76 19.49 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.48 -38.09 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 38.2 m 58.1 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.3 mt -134.11 139.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.37 115.74 22.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.12 129.49 55.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.68 141.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -91.33 41.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 140.92 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.38 133.57 55.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 31.1 mt 50.82 36.13 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 10.9 p -83.76 20.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -104.0 -10.29 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -176.18 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.8 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.65 174.31 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -113.09 138.6 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.0 m -145.21 -175.13 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -90.48 124.26 34.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -124.87 44.22 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.35 168.12 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -78.96 -47.93 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.85 -119.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 64.72 43.4 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.33 21.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.99 35.04 6.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 4.0 t -51.23 142.24 13.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -113.23 156.34 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.83 89.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.45 100.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.6 t -122.21 162.88 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 136.02 52.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.5 m -98.45 163.87 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 142.1 41.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -50.82 -39.97 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.33 -38.51 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.1 p -74.12 114.5 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.51 16.23 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.519 ' HD1' ' N ' ' A' ' 149' ' ' GLY . 18.9 m80 -139.14 168.17 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.64 150.22 44.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.1 t -138.25 154.36 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.0 m -150.91 141.38 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.4 p -140.43 124.2 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.12 107.02 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.81 177.24 8.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.35 -44.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.2 t 43.27 40.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tp -156.11 -67.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.6 t 74.34 -0.63 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -91.26 -3.15 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 t -105.76 -35.28 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -159.55 -179.59 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -94.57 -32.68 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.77 152.73 41.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.23 32.46 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.39 137.24 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.03 100.98 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.8 m -96.94 125.8 41.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -118.63 148.36 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -173.21 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.06 156.0 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -165.47 176.07 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.9 mt -90.1 45.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.519 ' N ' ' HD1' ' A' ' 124' ' ' HIS . . . 131.83 -175.06 19.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.7 t -106.61 91.06 5.58 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -19.45 35.84 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.47 18.36 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 48.0 mm -37.6 101.87 0.23 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.719 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -7.06 20.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.8 t -62.28 -19.12 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.82 -14.09 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 175.14 -115.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 mt -91.64 -63.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 131.49 -76.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.87 24.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -107.5 -48.02 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 19.9 m -51.6 151.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.9 m -111.87 107.56 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.4 mt -107.18 143.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -129.04 112.33 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -116.09 148.57 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.39 149.3 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -91.26 46.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.81 135.86 45.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.66 134.03 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.4 mt 49.82 38.51 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.13 22.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -106.16 -11.88 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 129.85 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 18.3 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.07 178.17 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -107.78 136.41 47.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 27.1 m -144.58 -172.51 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -95.54 125.06 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.86 40.87 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.02 167.36 18.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -48.53 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.06 110.94 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -157.18 85.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.21 47.22 55.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.17 50.17 3.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.62 164.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 p -147.43 131.38 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -174.45 85.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.08 109.7 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.7 m -126.0 161.99 26.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -75.58 126.12 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.55 166.39 18.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 140.35 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -33.52 22.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.12 -34.52 37.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -72.86 123.78 24.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.8 m -123.65 16.37 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -141.83 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.43 154.02 31.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.39 147.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -143.34 102.74 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.2 p -100.36 132.89 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.62 141.69 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.9 p -146.95 138.26 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -109.19 150.04 28.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.55 112.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 126.62 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.6 m -162.29 141.78 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -61.59 -22.88 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.79 139.93 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 39.93 85.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.0 -6.31 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.19 144.83 98.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 146.05 59.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.11 136.65 32.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.38 98.7 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.3 m -88.12 124.63 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 143.68 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ptp -158.07 -168.71 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.64 151.43 50.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -165.8 172.95 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.12 43.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 166.23 -118.25 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.78 74.56 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 81.34 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -48.19 -49.4 32.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 64.4 mt 49.42 84.19 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.5 m -67.43 -13.52 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.33 -15.53 60.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 151.38 -50.87 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.97 57.49 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.46 -84.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 54.83 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 7.8 t80 47.16 59.91 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 14.0 m -50.3 135.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.6 m -113.93 131.08 56.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.9 mm -100.03 106.36 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -89.68 95.62 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 95.8 m -107.6 136.41 47.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.67 146.38 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -91.58 46.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.73 137.12 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.2 t -58.77 133.78 56.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 mt 50.05 38.99 18.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.22 22.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.68 -13.43 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -174.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 170' ' ' SER . 3.2 pt -141.99 176.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -100.06 136.4 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.589 ' HA ' HD23 ' A' ' 171' ' ' LEU . 60.1 m -146.0 -172.1 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -95.74 124.46 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -120.73 42.96 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 165.47 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -78.28 -55.32 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.01 -115.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 62.63 40.4 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.51 -20.27 11.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.13 41.76 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.3 p -55.09 176.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.3 p -127.86 155.14 44.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -174.9 92.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 106.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 m -125.21 154.71 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -73.68 124.86 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.9 m -74.92 -173.84 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.57 144.81 33.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -52.69 -31.21 36.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.93 -34.67 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.4 p -78.85 118.5 20.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -117.73 22.14 12.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -142.84 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -113.64 152.79 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.18 144.15 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 71.6 m -130.98 113.68 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.9 p -108.68 107.02 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.13 104.59 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.814 0.256 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -86.21 139.55 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.672 ' N ' HD13 ' A' ' 141' ' ' LEU . 95.5 t -133.51 95.63 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.4 m -97.04 119.92 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -109.47 149.63 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.12 -167.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.79 157.24 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -165.51 172.61 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.65 43.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.23 -111.67 0.49 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.741 . . . . 0.0 110.904 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.87 120.69 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.69 104.28 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.13 166.52 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.3 151.47 5.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -92.26 49.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.92 136.65 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 101' ' ' ILE . 80.4 p -58.21 134.65 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.8 mt 47.39 39.47 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.34 22.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -103.41 3.22 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -63.56 -177.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.733 0.301 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 pt -135.99 179.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -103.32 134.8 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.518 ' HA ' HD23 ' A' ' 171' ' ' LEU . 56.1 m -143.85 -172.39 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -95.47 122.09 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.77 37.17 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.38 168.09 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -88.08 -53.04 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.62 -118.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 63.96 43.17 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.76 0.32 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.54 46.74 4.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.44 178.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.1 p -125.81 150.63 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -176.02 87.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.57 110.83 3.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -132.44 164.57 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -76.72 142.15 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 76.3 m -88.43 -174.08 4.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.74 145.01 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -50.49 -30.23 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.585 ' HB2' HD11 ' A' ' 148' ' ' ILE . 2.3 p30 -80.93 -42.43 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.8 p -72.64 138.55 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.92 7.47 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -133.49 177.2 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -127.29 136.23 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.69 141.71 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.2 m -129.13 102.48 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.9 p -101.77 106.73 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.12 104.53 14.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.839 0.266 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.6 tm? -75.78 137.42 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 141' ' ' LEU . 78.7 t -137.11 98.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.6 m -96.6 123.42 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -111.43 137.34 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -157.37 -169.08 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -123.16 154.75 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.73 164.99 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 121' ' ' ASP . 8.5 mt -90.74 45.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.79 -119.2 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.56 124.84 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.13 108.91 10.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.69 152.45 35.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.04 153.37 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.05 48.78 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.78 136.7 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.3 t -59.72 135.02 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 103' ' ' CYS . 34.8 mt 48.85 37.51 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.4 p -81.2 22.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.85 -22.6 17.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -143.68 139.13 29.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.525 ' N ' HG23 ' A' ' 123' ' ' THR . 6.7 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.317 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.65 -174.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -104.14 130.58 51.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.62 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.9 m -146.27 178.22 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.92 132.04 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -126.63 32.75 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.35 125.21 30.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -106.12 26.63 9.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.46 -128.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -148.03 -176.04 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.56 29.18 11.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.01 28.13 38.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 33.0 t -42.47 136.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 p -132.3 157.55 44.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -174.48 99.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.98 111.27 3.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -132.23 161.58 33.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -75.68 123.88 26.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.26 -174.92 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -84.31 145.56 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -50.33 -31.31 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.52 -42.55 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -75.41 120.1 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 100' ' ' MET . 3.3 m -118.98 10.23 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -138.72 161.39 37.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -108.53 158.13 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.401 HG13 ' SG ' ' A' ' 166' ' ' CYS . 45.5 t -133.36 140.81 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -119.9 114.58 22.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 p -121.33 146.26 47.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -148.95 132.71 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.664 ' OG1' HD12 ' A' ' 141' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.795 0.248 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.664 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.1 tm? -101.26 135.14 43.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.546 ' H ' HD22 ' A' ' 141' ' ' LEU . 21.3 t -144.14 120.66 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.6 m -128.71 142.87 50.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm -122.25 152.87 39.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -163.22 -168.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -125.17 157.88 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -165.51 166.43 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.2 mt -91.38 41.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.55 -112.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 74.3 mt -143.24 115.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.77 113.18 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.401 ' SG ' HG13 ' A' ' 126' ' ' VAL . 5.9 m -111.86 164.67 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.69 149.51 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -91.23 46.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 137.35 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 33.0 p -58.24 134.53 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 103' ' ' CYS . 33.7 mt 47.3 39.52 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.5 p -82.69 22.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -104.2 -3.02 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -143.27 146.25 33.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.543 ' N ' HG23 ' A' ' 123' ' ' THR . 6.6 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 123' ' ' THR . 2.7 pt -137.37 179.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -97.84 132.21 43.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.621 ' HA ' HD23 ' A' ' 171' ' ' LEU . 61.2 m -146.33 179.97 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -95.45 127.78 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -125.33 39.33 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.73 165.97 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -90.11 -177.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.637 ' H ' HG22 ' A' ' 107' ' ' THR . . . -66.96 -133.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 66.82 31.84 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.37 7.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.56 14.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.9 p -58.02 167.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 p -108.37 148.6 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -175.14 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.51 118.05 5.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 p -138.88 152.12 47.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -75.54 135.0 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.57 168.51 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 146.88 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -50.74 -39.76 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.81 -35.4 62.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -78.38 115.96 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.543 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -121.03 26.39 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -145.05 157.99 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.27 149.84 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.9 t -133.95 147.6 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.76 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 18.0 m -132.25 127.01 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 72.2 p -119.14 100.12 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.634 ' CB ' HG22 ' A' ' 142' ' ' VAL . . . -101.19 103.16 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.858 0.274 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.37 100.17 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 129' ' ' ALA . 15.3 t -104.72 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 99.6 m -100.18 134.72 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 127' ' ' THR . 2.4 mppt? -116.15 157.4 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 ptp -162.28 -166.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.03 157.4 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -166.0 175.15 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.4 mt -91.25 42.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 150.37 -111.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.12 143.82 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.76 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -127.61 100.15 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.37 133.75 52.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.72 146.84 26.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 36.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.49 135.39 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.4 p -57.76 133.49 55.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 103' ' ' CYS . 64.8 mt 48.68 39.86 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.0 p -81.34 22.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -104.95 4.86 32.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -63.4 -175.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.717 0.294 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.4 pt -88.46 175.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -93.82 135.54 35.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 58.9 m -145.78 174.06 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 171' ' ' LEU . 28.0 m-70 -94.62 105.03 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.04 44.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 t -87.47 170.81 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.5 m -73.42 -82.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 163.84 -98.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 59.51 24.04 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.98 -26.15 4.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.42 43.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.7 t -50.49 157.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 p -141.28 147.99 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -174.35 90.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.68 100.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -129.14 144.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 152.41 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -103.79 -178.98 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -80.33 159.91 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -48.6 -46.14 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.48 -38.56 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.7 m -69.45 107.28 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 t -116.85 1.13 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -136.41 166.78 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.01 158.1 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 166' ' ' CYS . 47.9 t -137.39 141.13 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.483 HG23 ' CG ' ' A' ' 144' ' ' LYS . 4.9 m -128.94 91.84 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.765 HG22 HG23 ' A' ' 164' ' ' ILE . 13.7 p -98.98 151.86 20.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 118.23 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.814 0.256 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -81.63 140.4 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 141' ' ' LEU . 3.0 t -123.43 160.85 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.563 HG22 ' CE ' ' A' ' 145' ' ' MET . 87.3 m -159.98 113.2 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.483 ' CG ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -111.89 140.72 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HG22 ' A' ' 143' ' ' THR . 1.2 pmm? -162.41 -177.02 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.47 157.15 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -165.47 173.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 121' ' ' ASP . 7.5 mt -90.2 48.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.84 -121.25 1.98 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.765 HG23 HG22 ' A' ' 128' ' ' THR . 3.7 mp -129.75 144.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.48 99.72 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 126' ' ' VAL . 15.3 m -108.39 165.23 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.83 150.6 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -91.16 45.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.67 138.02 49.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 76.1 p -60.53 134.53 57.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 104' ' ' HIS . 41.0 mt 50.13 36.52 12.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.14 22.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -105.3 -12.31 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -66.2 130.03 41.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.83 169.87 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -95.13 132.82 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 15.2 m -141.53 -174.83 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.592 ' CE1' HD22 ' A' ' 171' ' ' LEU . 25.9 m-70 -96.13 109.32 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.42 34.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.3 167.99 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.3 OUTLIER -103.36 170.72 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.652 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . -81.8 98.38 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD2' ' HB ' ' A' ' 107' ' ' THR . 66.0 m-85 -155.02 42.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.68 11.58 9.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.26 27.99 56.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.7 p -56.37 172.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.1 p -133.48 165.99 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -175.06 82.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.63 101.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -128.37 161.33 29.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -76.06 129.47 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 88.8 m -74.86 -177.6 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.7 140.04 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -47.76 -32.25 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.27 -47.25 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -72.3 115.28 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -106.4 16.39 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -146.94 172.83 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.23 143.39 46.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -120.4 152.87 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 144' ' ' LYS . 4.7 m -134.2 122.03 22.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.5 p -121.84 112.39 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -111.8 88.42 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.796 0.248 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.652 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -98.81 82.83 2.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 90.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.8 m -97.81 131.01 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -116.88 132.84 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.8 ptp -148.85 -164.9 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -126.8 160.66 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -163.23 170.68 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.09 40.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.98 -113.42 0.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.516 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.643 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 49.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 53.1 mt -141.36 120.27 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.15 117.82 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.95 155.2 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 150.75 6.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.98 45.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.79 135.58 45.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.9 p -58.76 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.592 HD22 ' CE1' ' A' ' 104' ' ' HIS . 18.8 mt 50.03 38.67 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.4 p -83.83 22.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.48 -8.51 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -174.64 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -115.64 169.87 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -101.94 137.91 39.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.607 ' C ' HD23 ' A' ' 171' ' ' LEU . 35.4 m -143.64 -171.37 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.426 ' CE1' HD22 ' A' ' 171' ' ' LEU . 19.5 m-70 -95.39 131.06 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.88 48.16 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.0 t -81.33 163.63 22.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.4 m -74.29 -57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.665 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.9 89.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -151.88 76.09 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.56 30.85 26.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.71 80.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.8 p -55.4 177.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 p -134.95 157.98 45.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -171.32 83.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.11 108.91 1.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -135.97 151.74 50.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -74.66 131.31 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -79.94 168.31 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.96 147.97 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.14 -30.22 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.04 -40.02 16.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 m -49.39 128.15 16.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.446 HG23 ' CD2' ' A' ' 124' ' ' HIS . 11.0 t -124.79 -8.18 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.446 ' CD2' HG23 ' A' ' 123' ' ' THR . 41.9 m-70 -135.92 162.93 31.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.77 155.16 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.506 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.5 t -136.64 140.8 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.797 HG23 ' HD3' ' A' ' 144' ' ' LYS . 5.2 m -127.9 118.34 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -119.69 107.34 13.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -103.54 97.74 7.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.841 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.665 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.5 tt -102.69 101.47 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -87.86 97.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 49.9 m -84.63 106.27 16.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.797 ' HD3' HG23 ' A' ' 127' ' ' THR . 9.0 mmtp -90.26 129.84 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.8 ttp -157.92 150.3 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -93.58 155.9 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -158.34 172.0 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 148' ' ' ILE . 14.1 mm -93.21 55.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 142.0 -109.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 -179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.1 mt -141.6 129.35 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.46 109.57 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.506 ' SG ' HG13 ' A' ' 126' ' ' VAL . 4.7 m -110.19 160.84 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.82 148.31 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -91.1 45.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 137.87 48.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.5 p -60.11 133.65 56.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.1 mt 51.02 36.47 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.76 22.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -102.19 -3.82 26.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.9 -173.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.78 -171.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -110.23 132.14 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.593 ' HA ' HD23 ' A' ' 171' ' ' LEU . 41.2 m -143.42 -174.24 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -86.2 132.24 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.47 25.36 9.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -85.01 168.46 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -96.78 24.6 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 66.95 -98.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.11 21.0 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.46 31.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.23 49.46 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 3.4 t -54.51 138.93 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 p -106.5 137.26 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.72 91.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.76 109.51 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -122.01 170.22 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -75.54 131.85 40.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.34 -175.62 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.38 147.48 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -50.05 -37.21 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.7 p30 -85.19 -31.9 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -72.14 120.1 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.45 15.94 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -146.12 163.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.42 139.3 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 128' ' ' THR . 64.3 t -116.11 110.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.68 92.6 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 126' ' ' VAL . 31.6 p -92.7 110.81 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -119.73 109.84 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.84 0.267 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 142' ' ' VAL . 3.4 tm? -96.6 137.7 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.555 ' N ' HD13 ' A' ' 141' ' ' LEU . 75.8 t -132.84 147.58 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.7 m -146.07 116.91 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 115.77 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 ttp -137.38 153.21 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.76 156.14 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -165.39 171.58 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 148' ' ' ILE . 3.2 mp -92.03 51.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.92 -119.92 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.912 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.7 mt -145.44 113.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -108.15 102.52 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 28.3 m -102.89 152.27 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 151.82 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.94 44.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.21 134.56 45.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.7 p -56.74 133.45 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 103' ' ' CYS . 23.5 mt 47.85 41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.67 21.65 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -109.2 -7.56 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -174.8 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 123' ' ' THR . 39.9 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.64 -178.33 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -98.18 135.34 39.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.567 ' C ' HD23 ' A' ' 171' ' ' LEU . 36.6 m -146.0 -176.76 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -95.87 130.95 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -126.6 38.48 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.58 155.78 25.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 107' ' ' THR . 9.8 m -73.67 -5.89 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.53 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -139.9 45.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.95 2.83 18.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.46 30.44 2.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 30.1 p -56.96 -178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -145.98 136.71 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.98 102.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.56 125.56 7.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.2 t -137.72 162.81 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -75.86 135.51 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.4 m -90.69 162.74 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.48 145.88 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -51.62 -33.01 31.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' HD11 ' A' ' 148' ' ' ILE . 10.8 m-20 -73.6 -42.3 61.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -71.08 116.29 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 100' ' ' MET . 3.1 m -122.26 27.44 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -144.12 157.51 44.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.0 m -106.71 133.06 51.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.93 145.31 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -141.06 111.28 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.7 p -109.3 168.41 9.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.51 114.82 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.774 0.239 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.0 107.22 7.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 143' ' ' THR . 93.5 t -83.82 155.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.5 m -156.43 120.13 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 144.17 43.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.6 ptp -160.98 -170.75 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.71 159.45 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.13 174.01 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 121' ' ' ASP . 3.8 mt -90.95 38.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.02 -109.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.659 0.743 . . . . 0.0 110.897 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 35.8 mm -128.14 147.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.687 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -135.48 103.71 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.51 124.24 46.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 140.03 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.42 47.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 136.09 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 18.5 m -61.43 132.18 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.567 HD23 ' C ' ' A' ' 103' ' ' CYS . 64.9 mt 54.43 35.81 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -80.86 20.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -20.49 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -85.54 -178.46 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.764 ' N ' HG23 ' A' ' 123' ' ' THR . 2.9 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.39 -177.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -109.26 134.2 52.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.507 ' C ' HD23 ' A' ' 171' ' ' LEU . 30.6 m -144.29 -179.8 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 171' ' ' LEU . 12.8 m-70 -89.9 135.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -129.58 27.21 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.24 168.15 17.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.2 m -74.55 -52.69 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.96 -104.64 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 59.52 48.9 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.15 -17.92 26.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.68 42.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -53.62 142.73 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -108.21 148.2 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -174.76 73.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.478 ' CA ' HD21 ' A' ' 171' ' ' LEU . . . -72.15 101.51 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 177.65 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 141.45 41.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.2 m -97.33 168.86 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 148.35 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -49.95 -45.1 50.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.56 -40.05 94.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.7 p -79.39 99.25 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.764 HG23 ' N ' ' A' ' 100' ' ' MET . 3.7 m -105.4 15.18 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.448 ' CD2' ' HG2' ' A' ' 168' ' ' GLN . 12.4 m80 -132.36 176.96 7.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.4 m -119.27 142.08 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.517 HG21 ' HB2' ' A' ' 147' ' ' HIS . 2.1 t -130.0 147.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 173' ' ' ASN . 1.9 m -136.69 142.32 43.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.3 p -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -118.07 141.93 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.827 0.261 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -89.16 140.28 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 141' ' ' LEU . 99.8 t -139.04 92.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -96.66 126.49 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 151.11 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 -164.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.33 166.86 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' HIS . . . . . 0.517 ' HB2' HG21 ' A' ' 126' ' ' VAL . 6.6 t60 -165.99 175.55 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 148' ' ' ILE . 2.1 mt -83.46 19.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.69 100.06 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.842 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.805 0.336 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 44.7 mt -100.65 148.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -124.26 113.83 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.36 108.72 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.04 135.71 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.448 ' HG2' ' CD2' ' A' ' 124' ' ' HIS . 3.6 tm0? -91.22 46.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.81 134.69 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 5.4 p -57.35 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 104' ' ' HIS . 30.7 mt 51.13 44.23 28.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.02 20.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.508 ' HB3' HG23 ' A' ' 127' ' ' THR . 0.6 OUTLIER -112.07 0.02 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -174.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.3 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.07 166.92 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -96.06 137.52 35.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.536 ' C ' HD23 ' A' ' 171' ' ' LEU . 84.0 m -146.39 -177.28 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CE1' HD22 ' A' ' 171' ' ' LEU . 97.2 m-70 -96.65 119.27 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -113.65 43.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.62 158.93 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -57.98 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.746 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.05 93.13 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -152.54 80.64 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.63 27.22 47.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.548 ' HA2' HG21 ' A' ' 142' ' ' VAL . . . 73.47 39.77 49.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.2 -177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 p -147.52 159.04 44.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -174.93 78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.59 103.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.2 175.07 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 145.52 37.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.94 177.05 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.45 142.93 46.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -48.94 -32.44 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.69 -42.26 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.6 p -79.93 119.41 22.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -117.22 19.58 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -140.98 178.07 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.42 145.99 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.9 t -124.06 122.25 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.745 HG23 ' HG2' ' A' ' 144' ' ' LYS . 1.8 m -110.94 120.99 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.4 p -129.04 129.44 45.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.89 127.78 53.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.767 0.236 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.746 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.4 tt -133.57 99.16 4.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.548 HG21 ' HA2' ' A' ' 111' ' ' GLY . 39.3 t -83.79 100.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.37 104.33 16.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.745 ' HG2' HG23 ' A' ' 127' ' ' THR . 15.3 mtmt -112.16 146.83 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 ptp -163.27 -167.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.64 153.73 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -159.92 170.09 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.03 43.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 152.1 -114.09 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.429 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.04 130.68 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.5 m -101.56 161.18 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.17 142.73 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -89.78 36.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.47 139.8 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 15.5 p -60.99 134.36 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 104' ' ' HIS . 62.0 mt 50.16 36.1 11.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.3 p -80.65 21.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -21.49 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -143.11 149.97 38.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pt -99.57 177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -98.99 133.71 42.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.603 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.8 m -146.22 -170.54 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -96.05 126.46 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -122.93 39.12 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.36 131.67 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -105.49 8.21 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.77 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -145.86 -172.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.67 29.94 13.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.78 26.23 38.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.1 t -46.21 139.4 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -133.89 160.2 38.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -174.55 95.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.33 110.71 1.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.56 140.46 35.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 151.66 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.03 159.57 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.01 146.54 32.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -49.98 -31.78 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.41 -43.76 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -72.38 120.16 17.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.586 HG23 ' CE1' ' A' ' 124' ' ' HIS . 11.9 t -116.38 -0.93 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.586 ' CE1' HG23 ' A' ' 123' ' ' THR . 28.2 m-70 -131.68 167.11 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 m -110.01 149.66 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 166' ' ' CYS . 98.8 t -130.32 128.31 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.612 HG23 ' CG ' ' A' ' 144' ' ' LYS . 1.3 m -113.96 116.59 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.7 p -115.25 142.47 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.18 113.13 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 141' ' ' LEU . 2.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.802 0.251 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.421 ' HB3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -84.45 123.07 29.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.563 HG12 ' HE2' ' A' ' 144' ' ' LYS . 21.6 t -120.77 116.67 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 83.5 m -120.54 117.66 28.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.612 ' CG ' HG23 ' A' ' 127' ' ' THR . 10.3 mtmt -109.01 149.0 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.81 -163.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.9 m -134.15 147.95 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -165.94 171.95 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 148' ' ' ILE . 4.2 mp -88.77 61.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.44 175.91 16.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 110.88 -179.861 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.7 131.34 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -137.24 114.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 126' ' ' VAL . 37.0 m -115.75 164.74 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.37 151.66 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.98 37.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.46 136.97 54.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.3 p -59.34 134.15 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 103' ' ' CYS . 65.7 mt 48.27 38.38 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.89 21.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -103.89 2.75 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -63.05 134.1 55.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.524 ' N ' HG23 ' A' ' 123' ' ' THR . 4.2 ptp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.1 pt -139.13 176.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -93.93 138.29 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.663 ' CA ' HD23 ' A' ' 171' ' ' LEU . 72.5 m -146.83 167.42 23.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.709 ' CE1' HD22 ' A' ' 171' ' ' LEU . 75.7 m-70 -91.43 94.53 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -87.52 73.97 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.34 153.16 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -74.22 -64.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.61 68.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -153.34 101.81 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.35 33.65 32.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.59 47.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.7 p -56.08 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 p -115.17 161.73 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.73 86.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.4 100.48 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 m -126.37 147.91 49.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -73.28 124.83 26.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.2 m -74.86 167.48 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 119' ' ' LEU . 0.7 OUTLIER -60.27 142.34 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -50.73 -34.93 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 148' ' ' ILE . 4.3 m-20 -84.97 -32.83 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -78.74 123.26 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -119.89 17.01 12.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -140.19 158.85 43.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.57 152.0 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.589 HG13 ' SG ' ' A' ' 166' ' ' CYS . 10.9 t -135.84 157.0 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.624 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 73.7 m -135.22 139.75 44.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.4 p -131.99 106.26 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -99.91 113.78 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.855 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.846 0.269 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -95.68 137.8 34.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.685 ' N ' HD13 ' A' ' 141' ' ' LEU . 92.4 t -142.9 90.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 46.3 m -86.17 141.86 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.528 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.1 mmtp -127.01 150.74 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.73 -172.89 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 13.3 m -125.69 151.13 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -155.0 173.32 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 121' ' ' ASP . 8.5 mt -90.9 46.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.44 -112.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.869 0.366 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 60.4 mt -119.6 113.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -114.62 102.71 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.589 ' SG ' HG13 ' A' ' 126' ' ' VAL . 8.1 m -109.37 157.92 18.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.75 143.26 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -89.97 47.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.07 137.28 42.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.8 p -59.23 133.78 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.709 HD22 ' CE1' ' A' ' 104' ' ' HIS . 22.8 mt 50.23 38.45 17.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -81.5 21.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -16.33 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -174.65 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.3 pt -115.13 179.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -105.53 134.82 48.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.564 ' C ' HD23 ' A' ' 171' ' ' LEU . 59.7 m -146.23 -175.43 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.637 ' CE1' HD22 ' A' ' 171' ' ' LEU . 16.1 m-70 -93.66 129.68 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -124.11 39.48 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.7 160.05 21.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 107' ' ' THR . 11.7 m -74.12 -6.5 48.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.32 126.36 0.11 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -160.47 43.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.63 35.03 5.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.71 30.69 4.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.4 t -51.27 160.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 p -140.38 137.03 33.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -174.74 82.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.07 106.64 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.6 t -124.2 170.14 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.02 144.13 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.7 156.93 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 141.37 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -29.38 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.4 -39.12 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -75.17 112.33 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.28 24.89 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -148.16 171.94 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.9 m -124.26 149.75 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 166' ' ' CYS . 21.4 t -127.89 135.53 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -131.12 94.7 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -107.37 175.98 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.69 138.04 24.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.635 ' OG1' HD12 ' A' ' 141' ' ' LEU . 10.7 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.834 0.264 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.635 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.2 tm? -90.81 136.33 33.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 141' ' ' LEU . 2.6 t -122.84 162.69 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 142' ' ' VAL . 35.1 m -151.71 109.07 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -104.2 137.87 41.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.8 -174.74 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.09 157.33 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -165.63 171.09 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.6 41.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.89 -117.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 mp -125.98 136.95 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.11 101.3 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 126' ' ' VAL . 11.1 m -111.37 167.28 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -171.01 152.32 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -91.75 49.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.31 136.86 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.4 p -59.85 134.29 56.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.637 HD22 ' CE1' ' A' ' 104' ' ' HIS . 36.4 mt 50.89 36.44 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -83.1 22.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.05 -11.18 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -173.74 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.556 ' HB3' HG23 ' A' ' 123' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.306 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 pt -90.89 174.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -101.03 137.67 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.613 ' HA ' HD23 ' A' ' 171' ' ' LEU . 39.3 m -145.96 -178.71 6.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.6 m-70 -95.96 115.96 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -108.63 58.83 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.82 151.63 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -85.68 -23.67 27.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 143.41 -153.29 24.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 68.5 74.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.05 22.53 75.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.17 67.53 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.61 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -126.08 137.6 53.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -170.73 95.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 104.55 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -116.34 156.83 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -74.96 122.86 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.1 m -78.4 166.21 22.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.62 142.9 32.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -47.85 -36.34 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -85.51 -34.69 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -71.1 95.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 100' ' ' MET . 0.2 OUTLIER -102.07 20.67 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -142.21 157.05 45.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.69 157.43 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.9 t -137.08 139.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 m -124.22 108.28 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.3 p -113.52 170.64 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -145.09 118.79 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.207 0 CA-C-O 120.831 0.263 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.6 OUTLIER -100.24 105.87 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 143' ' ' THR . 22.6 t -84.31 157.71 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.7 m -155.56 118.48 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.22 156.13 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.43 -168.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 10.0 m -135.12 154.8 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -166.36 174.59 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.565 ' H ' HD12 ' A' ' 148' ' ' ILE . 2.7 mp -91.82 42.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 163.87 -111.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.838 -179.85 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 64.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.5 mt -142.86 143.6 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.24 117.36 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.059 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.63 149.44 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.06 148.24 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.34 45.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.6 p -62.06 135.41 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.1 mt 49.84 34.87 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.45 21.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -97.99 2.6 49.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -61.82 -178.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.412 ' N ' HG23 ' A' ' 123' ' ' THR . 29.5 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.711 0.291 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.54 159.38 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -86.28 139.13 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.543 ' C ' HD23 ' A' ' 171' ' ' LEU . 61.5 m -144.76 170.47 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.561 ' CD2' HD22 ' A' ' 171' ' ' LEU . 88.8 m-70 -93.54 121.73 35.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.05 58.73 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -80.72 146.2 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -74.53 -46.19 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.77 -139.2 7.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 65.86 60.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.56 -17.69 58.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.36 51.41 1.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.5 p -56.56 -178.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.7 p -125.27 149.71 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -171.63 91.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.1 113.26 4.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 p -133.78 145.03 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -75.63 133.16 40.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.82 177.57 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 154.63 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -49.43 -35.71 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.724 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.72 -46.94 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.2 134.41 46.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 123' ' ' THR . 3.6 m -136.12 7.39 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -131.77 151.96 51.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.1 m -97.98 127.56 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.527 HG13 ' SG ' ' A' ' 150' ' ' CYS . 25.0 t -115.2 145.71 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 40.2 m -141.75 133.72 27.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.0 p -144.73 166.24 25.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 141' ' ' LEU . . . -172.28 179.68 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.83 0.263 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.701 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -100.85 144.25 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.701 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -142.19 106.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.7 m -110.47 128.19 55.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -131.73 147.0 52.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 -162.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.68 163.33 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -165.82 163.23 18.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 121' ' ' ASP . 4.5 mt -93.0 54.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 144.22 -15.26 2.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 126' ' ' VAL . 47.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -140.58 148.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.736 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -150.05 106.25 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 80.2 m -103.15 130.03 50.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.82 135.71 8.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -90.28 45.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.46 136.89 54.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.3 p -54.89 122.05 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 104' ' ' HIS . 29.5 mt 54.6 49.1 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.9 p -81.09 19.1 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -17.2 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -175.46 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 pt -134.63 174.97 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -101.49 136.7 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 51.0 m -145.92 -170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.41 139.01 32.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -138.72 29.05 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.55 163.29 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -73.83 170.85 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 107' ' ' THR . . . -100.7 126.06 8.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -164.4 26.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.74 -4.25 7.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.39 46.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.4 t -52.11 157.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 p -134.5 133.05 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -174.67 102.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.81 114.08 3.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 t -127.37 166.51 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -75.67 136.6 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.22 162.14 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 148.44 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -30.82 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -38.69 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 p -114.9 -4.25 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.1 178.07 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -122.19 148.91 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.78 134.91 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.718 HG23 ' HD3' ' A' ' 144' ' ' LYS . 9.7 m -123.41 113.26 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.8 p -102.37 130.94 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.14 101.42 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.804 0.252 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -92.44 153.41 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.75 ' N ' HD13 ' A' ' 141' ' ' LEU . 5.3 t -145.22 160.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 142' ' ' VAL . 4.4 m -156.94 111.87 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.718 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.2 mmtp -95.09 140.97 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -174.16 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.04 153.3 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.01 167.33 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 148' ' ' ILE . 39.2 mt -84.23 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 126.43 -117.18 2.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 123.36 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -93.8 92.88 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.58 130.62 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 143.88 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.413 ' H ' ' HG3' ' A' ' 168' ' ' GLN . 3.5 pp0? -91.44 44.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.32 137.91 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.4 p -59.11 134.48 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.594 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.2 mt 49.22 38.96 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.35 21.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -104.78 -10.53 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -70.36 -172.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.433 ' N ' HG22 ' A' ' 123' ' ' THR . 13.3 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -100.63 171.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -94.12 131.62 39.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.577 ' HA ' HD23 ' A' ' 171' ' ' LEU . 72.7 m -146.61 -175.26 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -95.23 132.15 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.85 34.77 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.38 159.75 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 85.3 m -74.62 -45.02 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.35 125.0 3.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -163.63 64.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.63 37.48 57.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 107.05 37.96 2.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.01 162.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 p -150.24 141.61 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -175.57 77.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.75 105.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 t -132.01 161.05 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -76.46 132.87 39.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.56 171.9 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.53 144.81 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -48.98 -32.45 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.649 ' HB3' HD11 ' A' ' 148' ' ' ILE . 3.0 m-20 -65.29 -49.9 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 m -76.46 111.45 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 100' ' ' MET . 5.9 p -116.58 0.41 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.53 146.45 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.66 135.45 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.725 HG22 ' SG ' ' A' ' 150' ' ' CYS . 87.7 t -123.51 147.62 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.783 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 2.5 m -140.39 130.5 24.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 p -130.57 147.88 52.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 130' ' ' THR . . . -146.28 128.45 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.846 0.269 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -74.29 139.55 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.667 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -134.5 103.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.7 m -98.12 129.12 44.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.518 ' HD2' HG12 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -118.65 141.18 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -165.72 179.36 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.0 m -117.36 168.44 10.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -166.17 165.8 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 121' ' ' ASP . 13.8 mt -91.27 62.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 140.44 -5.01 2.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.725 ' SG ' HG22 ' A' ' 126' ' ' VAL . 48.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.3 mt -134.11 139.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -122.37 115.74 22.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.12 129.49 55.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.68 141.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -91.33 41.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 140.92 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.38 133.57 55.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 103' ' ' CYS . 31.1 mt 50.82 36.13 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 10.9 p -83.76 20.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -104.0 -10.29 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -176.18 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.8 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.65 174.31 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -113.09 138.6 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.554 ' HA ' HD23 ' A' ' 171' ' ' LEU . 14.0 m -145.21 -175.13 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.662 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.2 m-70 -90.48 124.26 34.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -124.87 44.22 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.35 168.12 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -78.96 -47.93 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.85 -119.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 64.72 43.4 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.33 21.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.99 35.04 6.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 4.0 t -51.23 142.24 13.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -113.23 156.34 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.83 89.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.492 ' HA2' HD21 ' A' ' 171' ' ' LEU . . . -64.45 100.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.6 t -122.21 162.88 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 136.02 52.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.5 m -98.45 163.87 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 142.1 41.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -50.82 -39.97 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 148' ' ' ILE . 3.0 p30 -71.33 -38.51 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.1 p -74.12 114.5 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.51 16.23 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -139.14 168.17 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.64 150.22 44.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.569 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.1 t -138.25 154.36 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 144' ' ' LYS . 57.0 m -150.91 141.38 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.773 HG22 HG23 ' A' ' 164' ' ' ILE . 17.4 p -140.43 124.2 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' THR . . . -108.12 107.02 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.827 0.261 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 142' ' ' VAL . 2.6 tm? -74.39 137.24 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.703 ' N ' HD13 ' A' ' 141' ' ' LEU . 93.0 t -125.03 100.98 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.8 m -96.94 125.8 41.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.465 ' HG2' HG23 ' A' ' 127' ' ' THR . 71.3 mttt -118.63 148.36 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -173.21 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.06 156.0 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -165.47 176.07 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' ' 121' ' ' ASP . 6.9 mt -90.1 45.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 131.83 -175.06 19.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.89 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.773 HG23 HG22 ' A' ' 128' ' ' THR . 19.4 mt -107.18 143.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -129.04 112.33 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 126' ' ' VAL . 17.9 m -116.09 148.57 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.39 149.3 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -91.26 46.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.81 135.86 45.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.66 134.03 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 104' ' ' HIS . 47.4 mt 49.82 38.51 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.13 22.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -106.16 -11.88 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -65.29 129.85 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 18.3 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.07 178.17 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -107.78 136.41 47.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.608 ' C ' HD23 ' A' ' 171' ' ' LEU . 27.1 m -144.58 -172.51 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.608 ' CE1' HD22 ' A' ' 171' ' ' LEU . 20.0 m-70 -95.54 125.06 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.86 40.87 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.02 167.36 18.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -48.53 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.06 110.94 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -157.18 85.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.21 47.22 55.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.17 50.17 3.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.62 164.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 p -147.43 131.38 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -174.45 85.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.08 109.7 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.7 m -126.0 161.99 26.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -75.58 126.12 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.55 166.39 18.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 140.35 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -33.52 22.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.563 ' HB2' HD11 ' A' ' 148' ' ' ILE . 4.1 p30 -80.12 -34.52 37.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -72.86 123.78 24.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 123' ' ' THR . 2.8 m -123.65 16.37 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -141.83 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.43 154.02 31.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.39 147.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.845 HG23 ' HG3' ' A' ' 144' ' ' LYS . 3.2 m -143.34 102.74 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.2 p -100.36 132.89 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.62 141.69 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.813 0.255 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.3 tm? -89.11 136.65 32.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.727 ' N ' HD13 ' A' ' 141' ' ' LEU . 61.7 t -143.38 98.7 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.3 m -88.12 124.63 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.845 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -113.27 143.68 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ptp -158.07 -168.71 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.64 151.43 50.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -165.8 172.95 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 121' ' ' ASP . 5.6 mt -92.12 43.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 166.23 -118.25 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.9 mm -100.03 106.36 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.68 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -89.68 95.62 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 95.8 m -107.6 136.41 47.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.67 146.38 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -91.58 46.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.73 137.12 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.2 t -58.77 133.78 56.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 103' ' ' CYS . 24.0 mt 50.05 38.99 18.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.22 22.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.68 -13.43 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -174.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 170' ' ' SER . 3.2 pt -141.99 176.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -100.06 136.4 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.589 ' HA ' HD23 ' A' ' 171' ' ' LEU . 60.1 m -146.0 -172.1 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -95.74 124.46 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -120.73 42.96 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 165.47 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -78.28 -55.32 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.01 -115.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 62.63 40.4 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.408 ' N ' HD13 ' A' ' 139' ' ' LEU . . . 117.51 -20.27 11.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.13 41.76 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.3 p -55.09 176.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.3 p -127.86 155.14 44.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -174.9 92.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 106.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 m -125.21 154.71 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -73.68 124.86 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.9 m -74.92 -173.84 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.57 144.81 33.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -52.69 -31.21 36.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.93 -34.67 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.4 p -78.85 118.5 20.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -117.73 22.14 12.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -142.84 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -113.64 152.79 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.18 144.15 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 71.6 m -130.98 113.68 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.9 p -108.68 107.02 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.13 104.59 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.7 t -160.04 174.35 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.36 -177.28 4.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.594 HG13 ' HB2' ' A' ' 141' ' ' LEU . 4.0 m -122.8 -174.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.45 -18.95 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.05 137.68 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.19 -7.7 57.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.81 102.96 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -135.85 149.55 49.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -95.21 -25.17 16.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 110' ' ' GLY . 1.2 pp -147.16 157.71 45.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.5 69.35 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -86.21 139.55 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.672 ' N ' HD13 ' A' ' 141' ' ' LEU . 95.5 t -133.51 95.63 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.4 m -97.04 119.92 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -109.47 149.63 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.12 -167.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.79 157.24 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -165.51 172.61 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.65 43.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.23 -111.67 0.49 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.5 t -164.76 75.98 1.48 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.741 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.66 133.04 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 156' ' ' LEU . 44.8 mt -145.86 77.56 12.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 53.8 p -66.88 -14.39 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 153' ' ' ILE . 2.3 mp -63.74 -15.35 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -135.61 -122.01 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.0 -1.19 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 118.81 -85.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -163.44 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 45.09 36.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.78 135.48 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.89 132.9 55.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.87 120.69 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.69 104.28 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.13 166.52 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.3 151.47 5.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -92.26 49.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.92 136.65 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 101' ' ' ILE . 80.4 p -58.21 134.65 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.8 mt 47.39 39.47 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.34 22.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -103.41 3.22 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -63.56 -177.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.733 0.301 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 pt -135.99 179.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -103.32 134.8 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.518 ' HA ' HD23 ' A' ' 171' ' ' LEU . 56.1 m -143.85 -172.39 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -95.47 122.09 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.77 37.17 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.38 168.09 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -88.08 -53.04 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.62 -118.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 63.96 43.17 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.76 0.32 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.54 46.74 4.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.44 178.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.1 p -125.81 150.63 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -176.02 87.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.57 110.83 3.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -132.44 164.57 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -76.72 142.15 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 76.3 m -88.43 -174.08 4.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.74 145.01 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -50.49 -30.23 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.585 ' HB2' HD11 ' A' ' 148' ' ' ILE . 2.3 p30 -80.93 -42.43 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.8 p -72.64 138.55 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.92 7.47 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -133.49 177.2 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -127.29 136.23 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.69 141.71 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.2 m -129.13 102.48 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.9 p -101.77 106.73 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.12 104.53 14.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.8 p -115.38 167.6 10.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.96 174.0 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.79 103.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.81 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.645 ' HB3' HG22 ' A' ' 136' ' ' THR . 0.9 OUTLIER -61.39 136.77 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -64.93 -17.13 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 134' ' ' SER . 13.3 t -64.37 -15.23 60.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -136.89 133.97 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -95.25 -63.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.57 153.28 78.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.82 55.32 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.6 tm? -75.78 137.42 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 141' ' ' LEU . 78.7 t -137.11 98.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.6 m -96.6 123.42 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -111.43 137.34 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -157.37 -169.08 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -123.16 154.75 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.73 164.99 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 121' ' ' ASP . 8.5 mt -90.74 45.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.79 -119.2 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.2 t -163.49 73.42 1.87 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 178.89 4.08 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -118.72 134.21 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 45.7 mt -137.3 74.19 48.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.28 34.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.326 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.6 p -67.66 -20.66 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 23.7 mt -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -99.8 -124.42 5.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 159' ' ' GLY . 4.0 pp -119.87 -40.33 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 158' ' ' LEU . . . -141.48 -161.6 8.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -30.55 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.629 2.219 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.77 107.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.52 -174.68 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.8 m -110.75 105.78 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.56 124.84 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.13 108.91 10.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.69 152.45 35.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.04 153.37 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.05 48.78 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.78 136.7 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.3 t -59.72 135.02 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 103' ' ' CYS . 34.8 mt 48.85 37.51 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.4 p -81.2 22.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.85 -22.6 17.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -143.68 139.13 29.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.525 ' N ' HG23 ' A' ' 123' ' ' THR . 6.7 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.317 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.65 -174.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -104.14 130.58 51.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.62 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.9 m -146.27 178.22 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.92 132.04 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -126.63 32.75 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.35 125.21 30.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -106.12 26.63 9.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.46 -128.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -148.03 -176.04 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.727 ' CA ' HD22 ' A' ' 139' ' ' LEU . . . 49.56 29.18 11.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.01 28.13 38.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 33.0 t -42.47 136.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 p -132.3 157.55 44.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -174.48 99.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.98 111.27 3.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -132.23 161.58 33.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -75.68 123.88 26.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.26 -174.92 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -84.31 145.56 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -50.33 -31.31 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.52 -42.55 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -75.41 120.1 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 100' ' ' MET . 3.3 m -118.98 10.23 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -138.72 161.39 37.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -108.53 158.13 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.401 HG13 ' SG ' ' A' ' 166' ' ' CYS . 45.5 t -133.36 140.81 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -119.9 114.58 22.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 p -121.33 146.26 47.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -148.95 132.71 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.664 ' OG1' HD12 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -98.65 123.66 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -74.58 116.16 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.55 109.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -63.79 -31.97 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 p -95.35 -78.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.6 t30 55.2 22.75 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 p 53.86 24.63 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -146.49 -177.17 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -95.23 -0.15 53.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.727 HD22 ' CA ' ' A' ' 110' ' ' GLY . 0.7 OUTLIER -144.93 158.96 51.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -174.39 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.664 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.1 tm? -101.26 135.14 43.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.546 ' H ' HD22 ' A' ' 141' ' ' LEU . 21.3 t -144.14 120.66 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.6 m -128.71 142.87 50.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm -122.25 152.87 39.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -163.22 -168.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -125.17 157.88 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -165.51 166.43 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.2 mt -91.38 41.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.55 -112.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t -165.15 78.79 1.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.3 68.2 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.739 2.293 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -83.76 -49.84 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 153' ' ' ILE . 57.9 mt 50.54 77.1 0.48 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.7 26.76 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.1 m -68.03 -18.43 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.3 mt -75.37 -27.29 59.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -159.0 -122.39 0.66 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.465 HD11 ' CG ' ' A' ' 161' ' ' TYR . 0.2 OUTLIER -122.19 -43.15 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 150.09 -70.17 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.96 11.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.465 ' CG ' HD11 ' A' ' 158' ' ' LEU . 3.6 m-85 -74.86 -62.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.8 126.02 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.7 p -87.42 148.72 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 74.3 mt -143.24 115.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.77 113.18 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.401 ' SG ' HG13 ' A' ' 126' ' ' VAL . 5.9 m -111.86 164.67 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.69 149.51 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -91.23 46.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 137.35 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 33.0 p -58.24 134.53 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 103' ' ' CYS . 33.7 mt 47.3 39.52 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.5 p -82.69 22.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -104.2 -3.02 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -143.27 146.25 33.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.543 ' N ' HG23 ' A' ' 123' ' ' THR . 6.6 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 123' ' ' THR . 2.7 pt -137.37 179.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -97.84 132.21 43.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.621 ' HA ' HD23 ' A' ' 171' ' ' LEU . 61.2 m -146.33 179.97 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -95.45 127.78 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -125.33 39.33 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.73 165.97 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -90.11 -177.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.637 ' H ' HG22 ' A' ' 107' ' ' THR . . . -66.96 -133.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' HA ' HD13 ' A' ' 139' ' ' LEU . 2.4 m-85 66.82 31.84 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.37 7.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.56 14.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.9 p -58.02 167.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 p -108.37 148.6 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -175.14 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.51 118.05 5.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 p -138.88 152.12 47.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -75.54 135.0 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.57 168.51 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 146.88 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -50.74 -39.76 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.81 -35.4 62.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -78.38 115.96 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.543 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -121.03 26.39 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -145.05 157.99 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.27 149.84 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.512 HG21 ' HD2' ' A' ' 151' ' ' PRO . 39.9 t -133.95 147.6 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.76 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 18.0 m -132.25 127.01 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 72.2 p -119.14 100.12 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.726 ' C ' HG23 ' A' ' 162' ' ' VAL . . . -101.19 103.16 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 t -106.14 134.37 49.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -90.34 114.88 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.26 93.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 tp -78.95 120.93 24.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.7 145.67 31.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.07 -17.46 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.0 t -99.03 -19.06 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -105.72 131.17 53.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -144.24 160.96 47.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -164.25 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.37 100.17 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 129' ' ' ALA . 15.3 t -104.72 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 99.6 m -100.18 134.72 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 127' ' ' THR . 2.4 mppt? -116.15 157.4 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 ptp -162.28 -166.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.03 157.4 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -166.0 175.15 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.4 mt -91.25 42.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 150.37 -111.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 34.1 t -146.6 85.6 7.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.512 ' HD2' HG21 ' A' ' 126' ' ' VAL . 53.3 Cg_endo -69.81 77.53 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.7 107.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.99 81.72 62.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.91 22.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 17.7 p -70.62 -21.63 62.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.78 -16.49 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.419 ' O ' HG12 ' A' ' 162' ' ' VAL . . . 158.23 87.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 158' ' ' LEU . 0.4 OUTLIER -85.71 -25.6 26.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -47.76 -68.62 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.03 15.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.284 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 64.16 63.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.726 HG23 ' C ' ' A' ' 129' ' ' ALA . 7.3 p -61.63 129.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.5 m -91.58 132.81 36.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.12 143.82 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.76 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -127.61 100.15 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.37 133.75 52.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.72 146.84 26.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 36.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.49 135.39 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.4 p -57.76 133.49 55.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 103' ' ' CYS . 64.8 mt 48.68 39.86 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.0 p -81.34 22.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -104.95 4.86 32.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -63.4 -175.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.717 0.294 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.4 pt -88.46 175.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -93.82 135.54 35.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 58.9 m -145.78 174.06 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 171' ' ' LEU . 28.0 m-70 -94.62 105.03 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.04 44.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 t -87.47 170.81 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.5 m -73.42 -82.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 163.84 -98.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 59.51 24.04 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.98 -26.15 4.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.42 43.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.7 t -50.49 157.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 p -141.28 147.99 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -174.35 90.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.68 100.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -129.14 144.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 152.41 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -103.79 -178.98 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -80.33 159.91 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -48.6 -46.14 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.48 -38.56 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.7 m -69.45 107.28 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 t -116.85 1.13 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -136.41 166.78 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.01 158.1 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 166' ' ' CYS . 47.9 t -137.39 141.13 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.483 HG23 ' CG ' ' A' ' 144' ' ' LYS . 4.9 m -128.94 91.84 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.765 HG22 HG23 ' A' ' 164' ' ' ILE . 13.7 p -98.98 151.86 20.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 118.23 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.65 HG21 HG23 ' A' ' 162' ' ' VAL . 81.4 p -150.85 165.63 33.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -133.64 123.87 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.76 ' O ' HD22 ' A' ' 133' ' ' LEU . 6.5 m -104.22 -22.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 132' ' ' VAL . 2.7 mm? -140.72 121.16 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -95.19 -3.23 48.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.39 0.19 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.4 t -105.33 -32.78 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -155.89 147.78 23.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.14 -30.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.37 154.09 39.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.5 69.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -81.63 140.4 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 141' ' ' LEU . 3.0 t -123.43 160.85 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.563 HG22 ' CE ' ' A' ' 145' ' ' MET . 87.3 m -159.98 113.2 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.483 ' CG ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -111.89 140.72 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HG22 ' A' ' 143' ' ' THR . 1.2 pmm? -162.41 -177.02 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.47 157.15 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -165.47 173.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 121' ' ' ASP . 7.5 mt -90.2 48.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.84 -121.25 1.98 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.5 t -164.35 77.53 1.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.65 26.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.8 110.42 22.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.466 HG22 HD12 ' A' ' 156' ' ' LEU . 29.5 mt -133.2 82.84 52.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -6.74 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.299 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 11.2 m -63.72 -24.09 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.466 HD12 HG22 ' A' ' 153' ' ' ILE . 4.1 mp -71.63 -22.83 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -116.14 -123.92 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 158' ' ' LEU . 2.1 mm? -84.77 -65.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 159.1 -67.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.55 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.422 ' CE1' HD23 ' A' ' 158' ' ' LEU . 32.5 p90 -113.62 133.55 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.78 HG13 HD11 ' A' ' 164' ' ' ILE . 6.3 p -152.8 139.11 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.01 119.78 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.78 HD11 HG13 ' A' ' 162' ' ' VAL . 3.7 mp -129.75 144.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.48 99.72 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 126' ' ' VAL . 15.3 m -108.39 165.23 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.83 150.6 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -91.16 45.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.67 138.02 49.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 76.1 p -60.53 134.53 57.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 104' ' ' HIS . 41.0 mt 50.13 36.52 12.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.14 22.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -105.3 -12.31 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -66.2 130.03 41.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.83 169.87 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -95.13 132.82 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 15.2 m -141.53 -174.83 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.592 ' CE1' HD22 ' A' ' 171' ' ' LEU . 25.9 m-70 -96.13 109.32 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.42 34.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.3 167.99 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.3 OUTLIER -103.36 170.72 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.652 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . -81.8 98.38 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD2' ' HB ' ' A' ' 107' ' ' THR . 66.0 m-85 -155.02 42.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.68 11.58 9.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.26 27.99 56.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.7 p -56.37 172.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.1 p -133.48 165.99 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -175.06 82.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.63 101.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -128.37 161.33 29.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -76.06 129.47 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 88.8 m -74.86 -177.6 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.7 140.04 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -47.76 -32.25 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.27 -47.25 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -72.3 115.28 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -106.4 16.39 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -146.94 172.83 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.23 143.39 46.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -120.4 152.87 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 144' ' ' LYS . 4.7 m -134.2 122.03 22.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.5 p -121.84 112.39 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -111.8 88.42 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p -81.25 149.31 29.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -118.2 139.73 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.94 98.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.94 116.41 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 57.9 m -144.95 138.39 26.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -62.89 -18.2 62.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -102.67 178.13 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -76.98 81.8 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.77 -43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mt 63.27 152.99 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 155.09 66.99 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.652 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -98.81 82.83 2.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 90.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.8 m -97.81 131.01 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -116.88 132.84 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.8 ptp -148.85 -164.9 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -126.8 160.66 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -163.23 170.68 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.09 40.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.98 -113.42 0.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.516 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 44.8 t -157.22 82.16 3.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.79 59.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 -74.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 5.3 mp 47.33 77.9 0.43 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.6 24.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 45.3 p -68.19 -16.37 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.88 -26.65 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -97.09 -112.17 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 159' ' ' GLY . 1.5 pp -126.29 -37.54 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.558 ' N ' HD12 ' A' ' 158' ' ' LEU . . . 157.95 -94.65 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.434 ' HD2' HD12 ' A' ' 158' ' ' LEU . 53.7 Cg_endo -69.73 -48.9 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.496 ' HB2' HD11 ' A' ' 158' ' ' LEU . 48.8 m-85 -88.07 116.41 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.8 p -161.83 122.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.643 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 49.5 m -82.93 128.67 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 53.1 mt -141.36 120.27 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.15 117.82 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.95 155.2 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 150.75 6.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.98 45.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.79 135.58 45.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.9 p -58.76 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.592 HD22 ' CE1' ' A' ' 104' ' ' HIS . 18.8 mt 50.03 38.67 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.4 p -83.83 22.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.48 -8.51 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -174.64 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -115.64 169.87 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -101.94 137.91 39.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.607 ' C ' HD23 ' A' ' 171' ' ' LEU . 35.4 m -143.64 -171.37 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.426 ' CE1' HD22 ' A' ' 171' ' ' LEU . 19.5 m-70 -95.39 131.06 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.88 48.16 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.0 t -81.33 163.63 22.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.4 m -74.29 -57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.665 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.9 89.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -151.88 76.09 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.489 ' N ' HD22 ' A' ' 139' ' ' LEU . . . 84.56 30.85 26.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.71 80.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.8 p -55.4 177.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 p -134.95 157.98 45.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -171.32 83.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.11 108.91 1.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -135.97 151.74 50.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -74.66 131.31 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -79.94 168.31 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.96 147.97 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.14 -30.22 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.04 -40.02 16.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 m -49.39 128.15 16.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.446 HG23 ' CD2' ' A' ' 124' ' ' HIS . 11.0 t -124.79 -8.18 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.446 ' CD2' HG23 ' A' ' 123' ' ' THR . 41.9 m-70 -135.92 162.93 31.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.77 155.16 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.506 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.5 t -136.64 140.8 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.797 HG23 ' HD3' ' A' ' 144' ' ' LYS . 5.2 m -127.9 118.34 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . 1.012 HG21 HD13 ' A' ' 156' ' ' LEU . 33.9 p -119.69 107.34 13.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -103.54 97.74 7.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.0 t -107.93 141.75 39.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -63.79 177.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 132' ' ' VAL . 2.5 p -141.66 108.31 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.94 -24.46 67.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 m -62.63 121.35 13.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -64.6 -14.41 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.9 p -64.28 -15.29 59.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -134.18 123.8 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -82.49 -34.21 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 110' ' ' GLY . 0.4 OUTLIER -95.71 158.75 33.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 164.65 33.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.665 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.5 tt -102.69 101.47 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -87.86 97.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 49.9 m -84.63 106.27 16.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.797 ' HD3' HG23 ' A' ' 127' ' ' THR . 9.0 mmtp -90.26 129.84 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.8 ttp -157.92 150.3 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -93.58 155.9 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -158.34 172.0 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 148' ' ' ILE . 14.1 mm -93.21 55.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 142.0 -109.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.8 t -165.29 85.55 1.04 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.4 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.26 . . . . 0.0 112.396 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -108.8 10.81 26.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 90.3 mt -41.73 103.64 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -9.42 26.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 38.1 t -65.76 -17.24 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 1.012 HD13 HG21 ' A' ' 128' ' ' THR . 10.8 mt -65.14 -27.66 68.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -137.8 -126.36 2.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 158' ' ' LEU . 2.3 mm? -92.54 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 153.32 -69.43 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.91 13.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -123.13 95.39 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 67.5 t -150.05 139.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 t -98.79 137.82 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.1 mt -141.6 129.35 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.46 109.57 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.506 ' SG ' HG13 ' A' ' 126' ' ' VAL . 4.7 m -110.19 160.84 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.82 148.31 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -91.1 45.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 137.87 48.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.5 p -60.11 133.65 56.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.1 mt 51.02 36.47 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.76 22.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -102.19 -3.82 26.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.9 -173.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.78 -171.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -110.23 132.14 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.593 ' HA ' HD23 ' A' ' 171' ' ' LEU . 41.2 m -143.42 -174.24 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -86.2 132.24 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.47 25.36 9.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -85.01 168.46 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -96.78 24.6 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 66.95 -98.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.11 21.0 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.53 ' HA2' HD13 ' A' ' 139' ' ' LEU . . . 126.46 31.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.23 49.46 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 3.4 t -54.51 138.93 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 p -106.5 137.26 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.72 91.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.76 109.51 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -122.01 170.22 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -75.54 131.85 40.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.34 -175.62 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.38 147.48 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -50.05 -37.21 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.7 p30 -85.19 -31.9 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -72.14 120.1 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.45 15.94 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -146.12 163.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.42 139.3 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 128' ' ' THR . 64.3 t -116.11 110.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.68 92.6 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 126' ' ' VAL . 31.6 p -92.7 110.81 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -119.73 109.84 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.923 HG22 HG23 ' A' ' 162' ' ' VAL . 71.9 p -117.5 135.48 53.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -75.2 151.71 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.54 HG23 ' OE1' ' A' ' 137' ' ' GLU . 0.1 OUTLIER -139.85 98.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tp -64.48 122.72 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.58 144.99 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.93 -17.74 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.6 p -147.98 72.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.54 ' OE1' HG23 ' A' ' 132' ' ' VAL . 4.1 tt0 -125.09 138.01 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -95.75 -29.07 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.53 HD13 ' HA2' ' A' ' 110' ' ' GLY . 2.4 pp -156.06 156.32 30.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -177.31 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 142' ' ' VAL . 3.4 tm? -96.6 137.7 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.555 ' N ' HD13 ' A' ' 141' ' ' LEU . 75.8 t -132.84 147.58 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.7 m -146.07 116.91 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 115.77 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 ttp -137.38 153.21 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.76 156.14 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -165.39 171.58 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 148' ' ' ILE . 3.2 mp -92.03 51.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.92 -119.92 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.8 t -165.26 76.25 1.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.5 45.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.96 112.06 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.53 ' HB ' HD21 ' A' ' 156' ' ' LEU . 21.5 mt -143.42 84.34 10.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.672 ' HB3' HG11 ' A' ' 162' ' ' VAL . 53.7 Cg_endo -69.78 -4.63 14.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 39.6 m -58.8 -26.86 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.53 HD21 ' HB ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -97.35 31.59 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.613 ' CA ' HG21 ' A' ' 130' ' ' THR . . . -145.08 -125.28 1.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 160' ' ' PRO . 2.3 tt -114.44 -12.41 12.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 113.96 -98.02 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 158' ' ' LEU . 53.9 Cg_endo -69.75 -42.94 2.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.559 ' HB3' HD22 ' A' ' 158' ' ' LEU . 14.9 t80 -96.78 93.63 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.923 HG23 HG22 ' A' ' 130' ' ' THR . 4.1 p -147.61 119.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.3 t -96.87 144.06 27.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.7 mt -145.44 113.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -108.15 102.52 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 28.3 m -102.89 152.27 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 151.82 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.94 44.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.21 134.56 45.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.7 p -56.74 133.45 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 103' ' ' CYS . 23.5 mt 47.85 41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.67 21.65 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -109.2 -7.56 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -174.8 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 123' ' ' THR . 39.9 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.64 -178.33 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -98.18 135.34 39.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.567 ' C ' HD23 ' A' ' 171' ' ' LEU . 36.6 m -146.0 -176.76 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -95.87 130.95 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -126.6 38.48 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.58 155.78 25.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 107' ' ' THR . 9.8 m -73.67 -5.89 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.53 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -139.9 45.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.95 2.83 18.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.46 30.44 2.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 30.1 p -56.96 -178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -145.98 136.71 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.98 102.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.56 125.56 7.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.2 t -137.72 162.81 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -75.86 135.51 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.4 m -90.69 162.74 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.48 145.88 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -51.62 -33.01 31.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' HD11 ' A' ' 148' ' ' ILE . 10.8 m-20 -73.6 -42.3 61.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -71.08 116.29 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 100' ' ' MET . 3.1 m -122.26 27.44 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -144.12 157.51 44.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.0 m -106.71 133.06 51.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.93 145.31 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -141.06 111.28 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.7 p -109.3 168.41 9.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.51 114.82 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.562 HG21 ' O ' ' A' ' 156' ' ' LEU . 21.3 p -102.23 -177.44 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -113.83 -77.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.99 93.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 156' ' ' LEU . 48.7 tp -96.84 -81.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 t -98.52 -39.22 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.01 -38.21 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 10.2 p 50.46 32.78 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.94 -176.13 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.59 -34.67 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -96.14 158.18 34.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -176.41 1.49 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.0 107.22 7.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 143' ' ' THR . 93.5 t -83.82 155.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.5 m -156.43 120.13 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 144.17 43.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.6 ptp -160.98 -170.75 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.71 159.45 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -166.13 174.01 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 121' ' ' ASP . 3.8 mt -90.95 38.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.02 -109.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 46.5 t -165.32 77.26 1.33 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.659 0.743 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.54 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.508 ' O ' HD13 ' A' ' 153' ' ' ILE . 5.7 t0 -134.26 140.85 46.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 152' ' ' ASP . 24.8 mm -137.07 75.67 47.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.565 ' HA ' HD23 ' A' ' 158' ' ' LEU . 53.8 Cg_endo -69.77 -13.25 34.39 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 31.4 t -72.81 -8.64 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.727 ' C ' HD22 ' A' ' 133' ' ' LEU . 15.3 mt -82.34 0.65 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.41 ' CA ' HD13 ' A' ' 133' ' ' LEU . . . 85.87 93.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.415 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 154' ' ' PRO . 4.5 pp -112.05 -14.87 13.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 42.76 -102.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -46.97 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.328 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -158.55 146.45 18.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.407 ' HB ' HD22 ' A' ' 158' ' ' LEU . 5.7 p -93.93 140.57 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 m -100.77 111.68 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 35.8 mm -128.14 147.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.687 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -135.48 103.71 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.51 124.24 46.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 140.03 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.42 47.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 136.09 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 18.5 m -61.43 132.18 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.567 HD23 ' C ' ' A' ' 103' ' ' CYS . 64.9 mt 54.43 35.81 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -80.86 20.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -20.49 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -85.54 -178.46 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.764 ' N ' HG23 ' A' ' 123' ' ' THR . 2.9 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.39 -177.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -109.26 134.2 52.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.507 ' C ' HD23 ' A' ' 171' ' ' LEU . 30.6 m -144.29 -179.8 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 171' ' ' LEU . 12.8 m-70 -89.9 135.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -129.58 27.21 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.24 168.15 17.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.2 m -74.55 -52.69 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.96 -104.64 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 59.52 48.9 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.15 -17.92 26.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.68 42.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -53.62 142.73 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -108.21 148.2 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -174.76 73.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.478 ' CA ' HD21 ' A' ' 171' ' ' LEU . . . -72.15 101.51 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 177.65 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 141.45 41.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.2 m -97.33 168.86 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 148.35 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -49.95 -45.1 50.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.56 -40.05 94.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.7 p -79.39 99.25 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.764 HG23 ' N ' ' A' ' 100' ' ' MET . 3.7 m -105.4 15.18 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.448 ' CD2' ' HG2' ' A' ' 168' ' ' GLN . 12.4 m80 -132.36 176.96 7.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.4 m -119.27 142.08 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.517 HG21 ' HB2' ' A' ' 147' ' ' HIS . 2.1 t -130.0 147.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 173' ' ' ASN . 1.9 m -136.69 142.32 43.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.3 p -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -118.07 141.93 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.93 120.1 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -77.51 -7.04 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 139' ' ' LEU . 12.1 t 65.42 50.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.3 pt? -67.61 -23.7 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -81.04 -6.11 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.2 t30 61.97 19.47 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.7 p -78.73 -1.2 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -143.09 165.18 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -95.88 -14.03 23.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.461 ' O ' HG21 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -143.99 160.15 50.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.419 ' HA ' HG23 ' A' ' 132' ' ' VAL . 53.2 Cg_endo -69.8 132.22 22.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -89.16 140.28 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 141' ' ' LEU . 99.8 t -139.04 92.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -96.66 126.49 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 151.11 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 -164.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.33 166.86 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.517 ' HB2' HG21 ' A' ' 126' ' ' VAL . 6.6 t60 -165.99 175.55 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 148' ' ' ILE . 2.1 mt -83.46 19.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.69 100.06 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 151' ' ' PRO . 4.6 t 49.22 96.79 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.482 ' HG3' HG11 ' A' ' 126' ' ' VAL . 53.6 Cg_endo -69.82 152.66 69.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.48 12.86 34.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 47.5 mt -111.73 73.34 1.14 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.631 ' HA ' HD11 ' A' ' 164' ' ' ILE . 53.6 Cg_endo -69.79 -10.15 27.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.6 m -68.99 -12.66 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.37 -10.37 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -64.86 -110.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.44 HD23 ' HD2' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -109.65 -34.33 6.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -177.61 -83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.44 ' HD2' HD23 ' A' ' 158' ' ' LEU . 53.7 Cg_endo -69.74 -49.45 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -162.61 -179.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.6 p -170.06 155.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.168 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -74.83 103.83 5.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 154' ' ' PRO . 44.7 mt -100.65 148.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -124.26 113.83 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.36 108.72 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.04 135.71 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.448 ' HG2' ' CD2' ' A' ' 124' ' ' HIS . 3.6 tm0? -91.22 46.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.81 134.69 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 5.4 p -57.35 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 104' ' ' HIS . 30.7 mt 51.13 44.23 28.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.02 20.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.508 ' HB3' HG23 ' A' ' 127' ' ' THR . 0.6 OUTLIER -112.07 0.02 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -174.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.3 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.07 166.92 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -96.06 137.52 35.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.536 ' C ' HD23 ' A' ' 171' ' ' LEU . 84.0 m -146.39 -177.28 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CE1' HD22 ' A' ' 171' ' ' LEU . 97.2 m-70 -96.65 119.27 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -113.65 43.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.62 158.93 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -57.98 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.746 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.05 93.13 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -152.54 80.64 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.63 27.22 47.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.548 ' HA2' HG21 ' A' ' 142' ' ' VAL . . . 73.47 39.77 49.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.2 -177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 p -147.52 159.04 44.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -174.93 78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.59 103.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.2 175.07 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 145.52 37.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.94 177.05 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.45 142.93 46.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -48.94 -32.44 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.69 -42.26 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.6 p -79.93 119.41 22.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -117.22 19.58 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -140.98 178.07 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.42 145.99 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.9 t -124.06 122.25 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.745 HG23 ' HG2' ' A' ' 144' ' ' LYS . 1.8 m -110.94 120.99 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.4 p -129.04 129.44 45.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.89 127.78 53.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.475 HG22 HG22 ' A' ' 162' ' ' VAL . 0.8 OUTLIER -127.97 170.11 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -134.77 -175.61 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.26 106.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -12.38 60.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -58.76 146.06 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -60.87 -55.46 32.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 136' ' ' THR . 6.6 t -63.91 122.78 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 50.66 83.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -89.01 5.67 43.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 139' ' ' LEU . 0.9 OUTLIER -63.58 156.76 69.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.03 15.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.707 2.271 . . . . 0.0 112.378 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.746 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.4 tt -133.57 99.16 4.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.548 HG21 ' HA2' ' A' ' 111' ' ' GLY . 39.3 t -83.79 100.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.37 104.33 16.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.745 ' HG2' HG23 ' A' ' 127' ' ' THR . 15.3 mtmt -112.16 146.83 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 ptp -163.27 -167.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.64 153.73 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -159.92 170.09 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.03 43.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 152.1 -114.09 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.429 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 35.1 t -157.59 85.07 2.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.59 63.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.9 -56.28 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.565 HG21 HD23 ' A' ' 156' ' ' LEU . 41.0 mm 49.05 78.17 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -31.0 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.659 ' O ' HG11 ' A' ' 162' ' ' VAL . 3.4 pp -96.99 7.32 46.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.521 ' HA2' HG21 ' A' ' 162' ' ' VAL . . . 177.24 118.47 0.55 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 159' ' ' GLY . 0.6 OUTLIER -117.68 -24.57 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 158' ' ' LEU . . . -122.3 -164.88 12.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -74.6 -5.02 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 156' ' ' LEU . 21.9 t -139.76 133.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.25 133.04 52.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.04 130.68 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.5 m -101.56 161.18 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.17 142.73 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -89.78 36.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.47 139.8 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 15.5 p -60.99 134.36 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 104' ' ' HIS . 62.0 mt 50.16 36.1 11.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.3 p -80.65 21.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -21.49 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -143.11 149.97 38.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pt -99.57 177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -98.99 133.71 42.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.603 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.8 m -146.22 -170.54 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -96.05 126.46 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -122.93 39.12 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.36 131.67 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -105.49 8.21 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.77 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -145.86 -172.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.556 ' HA3' HD13 ' A' ' 139' ' ' LEU . . . 49.67 29.94 13.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.78 26.23 38.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.1 t -46.21 139.4 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -133.89 160.2 38.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -174.55 95.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.33 110.71 1.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.56 140.46 35.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 151.66 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.03 159.57 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.01 146.54 32.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -49.98 -31.78 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.41 -43.76 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -72.38 120.16 17.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.586 HG23 ' CE1' ' A' ' 124' ' ' HIS . 11.9 t -116.38 -0.93 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.586 ' CE1' HG23 ' A' ' 123' ' ' THR . 28.2 m-70 -131.68 167.11 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 m -110.01 149.66 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 166' ' ' CYS . 98.8 t -130.32 128.31 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.612 HG23 ' CG ' ' A' ' 144' ' ' LYS . 1.3 m -113.96 116.59 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.7 p -115.25 142.47 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.18 113.13 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.506 ' HA ' HG22 ' A' ' 162' ' ' VAL . 2.8 t -121.63 139.27 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -71.52 159.25 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.54 93.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.3 pt? -64.01 -20.58 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 67.8 m -63.97 -15.94 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.9 m120 55.45 22.46 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.3 t -66.98 -20.33 65.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.26 -174.09 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -95.57 -53.71 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.556 HD13 ' HA3' ' A' ' 110' ' ' GLY . 16.7 mt -83.05 154.71 67.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 168.26 22.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.421 ' HB3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -84.45 123.07 29.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.563 HG12 ' HE2' ' A' ' 144' ' ' LYS . 21.6 t -120.77 116.67 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 83.5 m -120.54 117.66 28.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.612 ' CG ' HG23 ' A' ' 127' ' ' THR . 10.3 mtmt -109.01 149.0 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.81 -163.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.9 m -134.15 147.95 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -165.94 171.95 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 148' ' ' ILE . 4.2 mp -88.77 61.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.44 175.91 16.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 3.7 t -108.61 83.2 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 170.81 15.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.23 116.17 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 40.5 mm -124.13 74.25 58.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.0 t -69.01 -28.14 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.07 -1.86 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -179.08 121.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -116.98 -3.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.538 ' N ' HD22 ' A' ' 158' ' ' LEU . . . -137.9 -171.87 12.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.94 13.05 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 162' ' ' VAL . 1.5 p90 -80.67 3.25 22.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 130' ' ' THR . 54.6 t -140.87 128.96 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 53.6 p -119.55 153.08 35.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.7 131.34 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -137.24 114.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 126' ' ' VAL . 37.0 m -115.75 164.74 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.37 151.66 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.98 37.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.46 136.97 54.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.3 p -59.34 134.15 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 103' ' ' CYS . 65.7 mt 48.27 38.38 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.89 21.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -103.89 2.75 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -63.05 134.1 55.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.524 ' N ' HG23 ' A' ' 123' ' ' THR . 4.2 ptp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.1 pt -139.13 176.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -93.93 138.29 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.663 ' CA ' HD23 ' A' ' 171' ' ' LEU . 72.5 m -146.83 167.42 23.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.709 ' CE1' HD22 ' A' ' 171' ' ' LEU . 75.7 m-70 -91.43 94.53 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -87.52 73.97 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.34 153.16 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -74.22 -64.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.61 68.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -153.34 101.81 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.35 33.65 32.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.59 47.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.7 p -56.08 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 p -115.17 161.73 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.73 86.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.4 100.48 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 m -126.37 147.91 49.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -73.28 124.83 26.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.2 m -74.86 167.48 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 119' ' ' LEU . 0.7 OUTLIER -60.27 142.34 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -50.73 -34.93 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 148' ' ' ILE . 4.3 m-20 -84.97 -32.83 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -78.74 123.26 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -119.89 17.01 12.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -140.19 158.85 43.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.57 152.0 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.589 HG13 ' SG ' ' A' ' 166' ' ' CYS . 10.9 t -135.84 157.0 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.624 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 73.7 m -135.22 139.75 44.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.925 HG21 HD22 ' A' ' 156' ' ' LEU . 46.4 p -131.99 106.26 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -99.91 113.78 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 13.3 p -140.97 178.75 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -123.55 -177.96 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 135' ' ' ASN . 7.6 p -166.1 120.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 134' ' ' SER . 7.4 tt -96.26 155.21 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.641 ' N ' HD23 ' A' ' 133' ' ' LEU . 2.0 t 73.97 1.74 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.452 ' HB2' HG22 ' A' ' 132' ' ' VAL . 15.4 t-20 -94.33 18.0 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' ASN . 6.9 t 37.0 49.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -124.1 145.66 49.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.69 -75.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 139' ' ' LEU . 4.0 pp -64.82 154.6 85.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 168.93 20.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -95.68 137.8 34.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.685 ' N ' HD13 ' A' ' 141' ' ' LEU . 92.4 t -142.9 90.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 46.3 m -86.17 141.86 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.528 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.1 mmtp -127.01 150.74 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.73 -172.89 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 13.3 m -125.69 151.13 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -155.0 173.32 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 121' ' ' ASP . 8.5 mt -90.9 46.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.44 -112.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 82.85 1.87 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.365 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.595 ' HA ' HD13 ' A' ' 164' ' ' ILE . 1.1 m-20 -107.24 13.82 26.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 71.1 mt -39.44 102.84 0.26 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.447 ' HB2' HD23 ' A' ' 158' ' ' LEU . 54.1 Cg_endo -69.8 -5.41 16.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.5 m -67.13 -10.77 53.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.925 HD22 HG21 ' A' ' 128' ' ' THR . 5.4 mp -88.85 17.84 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 94.55 78.67 1.42 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 159' ' ' GLY . 3.9 pp -75.02 -41.95 58.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.678 ' O ' HD12 ' A' ' 158' ' ' LEU . . . 46.36 -162.64 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -166.75 102.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.6 p -87.27 139.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.28 112.02 20.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 152' ' ' ASP . 60.4 mt -119.6 113.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -114.62 102.71 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.589 ' SG ' HG13 ' A' ' 126' ' ' VAL . 8.1 m -109.37 157.92 18.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.75 143.26 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -89.97 47.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.07 137.28 42.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.8 p -59.23 133.78 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.709 HD22 ' CE1' ' A' ' 104' ' ' HIS . 22.8 mt 50.23 38.45 17.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -81.5 21.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -16.33 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -174.65 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.3 pt -115.13 179.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -105.53 134.82 48.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.564 ' C ' HD23 ' A' ' 171' ' ' LEU . 59.7 m -146.23 -175.43 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.637 ' CE1' HD22 ' A' ' 171' ' ' LEU . 16.1 m-70 -93.66 129.68 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -124.11 39.48 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.7 160.05 21.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 107' ' ' THR . 11.7 m -74.12 -6.5 48.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.32 126.36 0.11 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -160.47 43.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.776 ' HA3' HD13 ' A' ' 139' ' ' LEU . . . 96.63 35.03 5.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.71 30.69 4.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.4 t -51.27 160.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 p -140.38 137.03 33.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -174.74 82.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.07 106.64 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.6 t -124.2 170.14 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.02 144.13 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.7 156.93 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 141.37 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -29.38 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.4 -39.12 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -75.17 112.33 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.28 24.89 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -148.16 171.94 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.9 m -124.26 149.75 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 166' ' ' CYS . 21.4 t -127.89 135.53 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -131.12 94.7 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -107.37 175.98 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.69 138.04 24.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.635 ' OG1' HD12 ' A' ' 141' ' ' LEU . 10.7 p -120.35 176.31 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.717 ' HD3' HD13 ' A' ' 158' ' ' LEU . 2.5 tpt85 -51.5 161.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 140' ' ' PRO . 5.5 t -74.83 65.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.83 -22.98 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 t -71.29 -9.4 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 65.58 14.26 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.52 ' O ' HG11 ' A' ' 132' ' ' VAL . 12.7 t -84.02 133.56 34.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -92.34 17.23 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.567 ' HB2' HD12 ' A' ' 139' ' ' LEU . 1.9 m-20 -96.51 -59.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.776 HD13 ' HA3' ' A' ' 110' ' ' GLY . 0.4 OUTLIER -145.23 159.85 47.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.601 ' HA ' HG22 ' A' ' 132' ' ' VAL . 54.3 Cg_endo -69.74 -174.51 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.635 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.2 tm? -90.81 136.33 33.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 141' ' ' LEU . 2.6 t -122.84 162.69 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 142' ' ' VAL . 35.1 m -151.71 109.07 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -104.2 137.87 41.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.8 -174.74 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.09 157.33 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -165.63 171.09 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.6 41.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.89 -117.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.4 t -165.84 75.6 1.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -176.65 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.44 110.8 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.42 75.1 69.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -14.58 36.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 58.3 p -70.58 -12.65 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.45 -21.36 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -142.2 -122.76 1.8 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.717 HD13 ' HD3' ' A' ' 131' ' ' ARG . 1.3 tp -73.82 -66.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.515 ' O ' HG13 ' A' ' 162' ' ' VAL . . . -171.82 -151.82 8.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.72 21.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -74.72 -14.0 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 159' ' ' GLY . 30.7 m -58.44 -176.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -120.1 136.83 54.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 mp -125.98 136.95 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.11 101.3 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 126' ' ' VAL . 11.1 m -111.37 167.28 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -171.01 152.32 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -91.75 49.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.31 136.86 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.4 p -59.85 134.29 56.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.637 HD22 ' CE1' ' A' ' 104' ' ' HIS . 36.4 mt 50.89 36.44 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -83.1 22.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.05 -11.18 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -173.74 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.556 ' HB3' HG23 ' A' ' 123' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.306 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 pt -90.89 174.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -101.03 137.67 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.613 ' HA ' HD23 ' A' ' 171' ' ' LEU . 39.3 m -145.96 -178.71 6.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.6 m-70 -95.96 115.96 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -108.63 58.83 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.82 151.63 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -85.68 -23.67 27.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 143.41 -153.29 24.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 68.5 74.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.494 ' CA ' HD13 ' A' ' 139' ' ' LEU . . . 69.05 22.53 75.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.17 67.53 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.61 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -126.08 137.6 53.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -170.73 95.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 104.55 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -116.34 156.83 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -74.96 122.86 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.1 m -78.4 166.21 22.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.62 142.9 32.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -47.85 -36.34 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -85.51 -34.69 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -71.1 95.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 100' ' ' MET . 0.2 OUTLIER -102.07 20.67 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -142.21 157.05 45.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.69 157.43 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.558 HG21 ' HD2' ' A' ' 151' ' ' PRO . 95.9 t -137.08 139.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 m -124.22 108.28 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.3 p -113.52 170.64 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -145.09 118.79 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.468 HG22 ' HA2' ' A' ' 157' ' ' GLY . 1.0 OUTLIER -105.22 150.07 25.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -103.95 146.31 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 134' ' ' SER . 14.6 t -148.13 115.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.73 -20.16 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.547 ' H ' HG12 ' A' ' 132' ' ' VAL . 20.7 m -88.68 -23.66 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.404 ' ND2' HG11 ' A' ' 132' ' ' VAL . 4.4 m-20 -105.66 21.22 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.83 81.68 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.37 -86.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.12 -44.25 6.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.494 HD13 ' CA ' ' A' ' 110' ' ' GLY . 2.8 mt -142.84 155.08 62.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 54.0 Cg_endo -69.79 -168.46 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.6 OUTLIER -100.24 105.87 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 143' ' ' THR . 22.6 t -84.31 157.71 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.7 m -155.56 118.48 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.22 156.13 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.43 -168.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 10.0 m -135.12 154.8 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -166.36 174.59 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.565 ' H ' HD12 ' A' ' 148' ' ' ILE . 2.7 mp -91.82 42.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 163.87 -111.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 50.5 t -155.54 78.15 4.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.558 ' HD2' HG21 ' A' ' 126' ' ' VAL . 54.0 Cg_endo -69.76 76.58 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -49.03 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 88.1 mt 49.01 80.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.21 23.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.8 t -70.27 -23.34 62.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 156' ' ' LEU . 3.0 pp -70.36 -19.7 63.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.468 ' HA2' HG22 ' A' ' 130' ' ' THR . . . -107.51 -113.62 3.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 159' ' ' GLY . 0.3 OUTLIER -129.66 -45.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.886 0.374 . . . . 0.0 110.929 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.632 ' N ' HD23 ' A' ' 158' ' ' LEU . . . -158.39 -159.6 9.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.88 37.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -76.8 -8.29 57.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.32 135.25 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 64.4 m -81.16 123.95 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.5 mt -142.86 143.6 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.24 117.36 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.059 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.63 149.44 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.06 148.24 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.34 45.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.6 p -62.06 135.41 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.1 mt 49.84 34.87 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.45 21.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -97.99 2.6 49.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -61.82 -178.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.412 ' N ' HG23 ' A' ' 123' ' ' THR . 29.5 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.711 0.291 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.54 159.38 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -86.28 139.13 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.543 ' C ' HD23 ' A' ' 171' ' ' LEU . 61.5 m -144.76 170.47 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.561 ' CD2' HD22 ' A' ' 171' ' ' LEU . 88.8 m-70 -93.54 121.73 35.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.05 58.73 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -80.72 146.2 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -74.53 -46.19 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.77 -139.2 7.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 65.86 60.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.56 -17.69 58.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.36 51.41 1.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.5 p -56.56 -178.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.7 p -125.27 149.71 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -171.63 91.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.1 113.26 4.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 p -133.78 145.03 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -75.63 133.16 40.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.82 177.57 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 154.63 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -49.43 -35.71 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.724 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.72 -46.94 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.2 134.41 46.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 123' ' ' THR . 3.6 m -136.12 7.39 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -131.77 151.96 51.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.1 m -97.98 127.56 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.527 HG13 ' SG ' ' A' ' 150' ' ' CYS . 25.0 t -115.2 145.71 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 40.2 m -141.75 133.72 27.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.0 p -144.73 166.24 25.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 141' ' ' LEU . . . -172.28 179.68 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.8 p -141.16 107.8 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -60.4 154.61 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.5 t -149.47 112.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.32 -25.16 68.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -63.3 122.85 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -88.69 15.28 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.556 HG22 ' H ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -64.07 176.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.556 ' H ' HG22 ' A' ' 136' ' ' THR . 2.5 pp20? -74.44 -4.43 36.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.93 -39.85 95.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 140' ' ' PRO . 5.1 mt 62.93 154.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 53.2 Cg_endo -69.75 165.17 31.86 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.701 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -100.85 144.25 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.701 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -142.19 106.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.7 m -110.47 128.19 55.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -131.73 147.0 52.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 -162.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.68 163.33 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -165.82 163.23 18.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 121' ' ' ASP . 4.5 mt -93.0 54.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 144.22 -15.26 2.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 126' ' ' VAL . 47.5 t 51.1 82.79 0.24 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.6 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -92.48 -56.26 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.596 HG22 HD23 ' A' ' 156' ' ' LEU . 56.9 mt 48.66 80.63 0.29 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 111.158 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -7.65 21.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.5 t -68.41 -19.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 153' ' ' ILE . 0.5 OUTLIER -68.67 -11.95 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.507 ' C ' HD13 ' A' ' 158' ' ' LEU . . . -122.98 -130.45 3.66 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 157' ' ' GLY . 0.3 OUTLIER -107.8 -67.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -119.55 -86.44 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -54.59 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -169.2 -171.28 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 163' ' ' SER . 2.7 p -157.42 -48.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 162' ' ' VAL . 0.9 OUTLIER -168.55 110.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -140.58 148.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.736 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -150.05 106.25 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 80.2 m -103.15 130.03 50.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.82 135.71 8.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -90.28 45.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.46 136.89 54.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.3 p -54.89 122.05 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 104' ' ' HIS . 29.5 mt 54.6 49.1 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.9 p -81.09 19.1 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -17.2 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -175.46 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 pt -134.63 174.97 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -101.49 136.7 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 51.0 m -145.92 -170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.41 139.01 32.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -138.72 29.05 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.55 163.29 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -73.83 170.85 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 107' ' ' THR . . . -100.7 126.06 8.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -164.4 26.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.74 -4.25 7.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.39 46.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.4 t -52.11 157.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 p -134.5 133.05 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -174.67 102.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.81 114.08 3.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 t -127.37 166.51 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -75.67 136.6 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.22 162.14 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 148.44 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -30.82 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -38.69 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 p -114.9 -4.25 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.1 178.07 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -122.19 148.91 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.78 134.91 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.718 HG23 ' HD3' ' A' ' 144' ' ' LYS . 9.7 m -123.41 113.26 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.8 p -102.37 130.94 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 162' ' ' VAL . . . -129.14 101.42 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.8 100.96 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -95.33 124.76 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.52 95.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.32 -26.54 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 71.7 m -73.43 -13.05 61.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.48 -10.67 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.9 p 50.0 32.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -177.99 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -40.67 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 pp -144.88 154.45 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.34 27.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -92.44 153.41 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.75 ' N ' HD13 ' A' ' 141' ' ' LEU . 5.3 t -145.22 160.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 142' ' ' VAL . 4.4 m -156.94 111.87 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.718 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.2 mmtp -95.09 140.97 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -174.16 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.04 153.3 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.01 167.33 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 148' ' ' ILE . 39.2 mt -84.23 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 126.43 -117.18 2.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 2.7 t -166.62 81.53 0.98 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 146.77 60.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.17 120.37 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 56.6 mt -126.62 75.62 74.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.01 37.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.3 m -66.19 -17.08 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.68 -29.35 33.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.663 ' O ' HG12 ' A' ' 162' ' ' VAL . . . 161.32 89.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.538 ' C ' HD13 ' A' ' 158' ' ' LEU . 2.4 tm? -93.45 -37.39 11.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -50.37 -68.74 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.15 20.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.0 t80 64.64 82.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 129' ' ' ALA . 7.4 p -76.49 130.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.0 t -82.75 140.2 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 123.36 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -93.8 92.88 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.58 130.62 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 143.88 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.413 ' H ' ' HG3' ' A' ' 168' ' ' GLN . 3.5 pp0? -91.44 44.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.32 137.91 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.4 p -59.11 134.48 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.594 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.2 mt 49.22 38.96 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.35 21.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -104.78 -10.53 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -70.36 -172.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.433 ' N ' HG22 ' A' ' 123' ' ' THR . 13.3 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -100.63 171.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -94.12 131.62 39.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.577 ' HA ' HD23 ' A' ' 171' ' ' LEU . 72.7 m -146.61 -175.26 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -95.23 132.15 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.85 34.77 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.38 159.75 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 85.3 m -74.62 -45.02 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.35 125.0 3.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -163.63 64.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.63 37.48 57.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 107.05 37.96 2.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.01 162.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 p -150.24 141.61 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -175.57 77.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.75 105.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 t -132.01 161.05 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -76.46 132.87 39.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.56 171.9 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.53 144.81 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -48.98 -32.45 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.649 ' HB3' HD11 ' A' ' 148' ' ' ILE . 3.0 m-20 -65.29 -49.9 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 m -76.46 111.45 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 100' ' ' MET . 5.9 p -116.58 0.41 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.53 146.45 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.66 135.45 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.725 HG22 ' SG ' ' A' ' 150' ' ' CYS . 87.7 t -123.51 147.62 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.783 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 2.5 m -140.39 130.5 24.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.588 HG21 HD21 ' A' ' 156' ' ' LEU . 18.8 p -130.57 147.88 52.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 130' ' ' THR . . . -146.28 128.45 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -163.04 153.78 16.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -109.92 145.62 36.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.61 98.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -174.56 131.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.409 ' H ' HD13 ' A' ' 133' ' ' LEU . 2.4 t -82.89 -56.84 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -85.11 -81.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -178.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -101.99 -46.92 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.451 ' HB2' HD23 ' A' ' 133' ' ' LEU . 17.4 t70 64.61 13.43 8.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mt 62.68 153.47 0.11 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.617 0.722 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -74.29 139.55 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.667 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -134.5 103.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.7 m -98.12 129.12 44.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.518 ' HD2' HG12 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -118.65 141.18 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -165.72 179.36 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.0 m -117.36 168.44 10.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -166.17 165.8 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 121' ' ' ASP . 13.8 mt -91.27 62.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 140.44 -5.01 2.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.725 ' SG ' HG22 ' A' ' 126' ' ' VAL . 48.9 t 51.08 77.6 0.45 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -103.92 -26.16 12.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.463 HG21 HD23 ' A' ' 156' ' ' LEU . 59.5 mt 48.52 81.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.7 t -68.25 -36.24 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 128' ' ' THR . 4.4 pp -97.4 21.12 10.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -142.48 99.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 159' ' ' GLY . 4.0 pp -74.55 -39.58 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 158' ' ' LEU . . . -133.04 -162.15 10.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -91.76 19.49 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 164' ' ' ILE . 7.2 p -54.48 -38.09 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 38.2 m 58.1 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 162' ' ' VAL . 64.3 mt -134.11 139.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -122.37 115.74 22.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.12 129.49 55.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.68 141.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -91.33 41.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 140.92 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.38 133.57 55.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 103' ' ' CYS . 31.1 mt 50.82 36.13 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 10.9 p -83.76 20.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -104.0 -10.29 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -176.18 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.8 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.65 174.31 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -113.09 138.6 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.554 ' HA ' HD23 ' A' ' 171' ' ' LEU . 14.0 m -145.21 -175.13 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.662 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.2 m-70 -90.48 124.26 34.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -124.87 44.22 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.35 168.12 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -78.96 -47.93 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.85 -119.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 64.72 43.4 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.33 21.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.99 35.04 6.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 4.0 t -51.23 142.24 13.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -113.23 156.34 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.83 89.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.492 ' HA2' HD21 ' A' ' 171' ' ' LEU . . . -64.45 100.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.6 t -122.21 162.88 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 136.02 52.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.5 m -98.45 163.87 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 142.1 41.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -50.82 -39.97 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 148' ' ' ILE . 3.0 p30 -71.33 -38.51 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.1 p -74.12 114.5 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.51 16.23 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -139.14 168.17 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.64 150.22 44.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.569 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.1 t -138.25 154.36 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 144' ' ' LYS . 57.0 m -150.91 141.38 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.773 HG21 HD22 ' A' ' 156' ' ' LEU . 17.4 p -140.43 124.2 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' THR . . . -108.12 107.02 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.758 HG21 HG12 ' A' ' 162' ' ' VAL . 0.7 OUTLIER -163.81 177.24 8.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -151.35 -44.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 132' ' ' VAL . 5.2 t 43.27 40.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tp -156.11 -67.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.6 t 74.34 -0.63 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -91.26 -3.15 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 t -105.76 -35.28 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -159.55 -179.59 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -94.57 -32.68 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.77 152.73 41.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.23 32.46 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 142' ' ' VAL . 2.6 tm? -74.39 137.24 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.703 ' N ' HD13 ' A' ' 141' ' ' LEU . 93.0 t -125.03 100.98 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.8 m -96.94 125.8 41.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.465 ' HG2' HG23 ' A' ' 127' ' ' THR . 71.3 mttt -118.63 148.36 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -173.21 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.06 156.0 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -165.47 176.07 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' ' 121' ' ' ASP . 6.9 mt -90.1 45.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 131.83 -175.06 19.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.7 t -106.61 91.06 5.58 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -19.45 35.84 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.47 18.36 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 48.0 mm -37.6 101.87 0.23 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.719 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -7.06 20.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.8 t -62.28 -19.12 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.773 HD22 HG21 ' A' ' 128' ' ' THR . 3.7 mp -65.82 -14.09 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 175.14 -115.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 mt -91.64 -63.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 131.49 -76.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.87 24.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -107.5 -48.02 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.758 HG12 HG21 ' A' ' 130' ' ' THR . 19.9 m -51.6 151.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.9 m -111.87 107.56 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.773 HG23 HG22 ' A' ' 128' ' ' THR . 19.4 mt -107.18 143.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -129.04 112.33 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 126' ' ' VAL . 17.9 m -116.09 148.57 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.39 149.3 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -91.26 46.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.81 135.86 45.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.66 134.03 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 104' ' ' HIS . 47.4 mt 49.82 38.51 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.13 22.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -106.16 -11.88 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -65.29 129.85 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 18.3 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.07 178.17 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -107.78 136.41 47.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.608 ' C ' HD23 ' A' ' 171' ' ' LEU . 27.1 m -144.58 -172.51 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.608 ' CE1' HD22 ' A' ' 171' ' ' LEU . 20.0 m-70 -95.54 125.06 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.86 40.87 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.02 167.36 18.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -48.53 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.06 110.94 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.451 ' HA ' HD13 ' A' ' 139' ' ' LEU . 55.2 m-85 -157.18 85.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.21 47.22 55.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.17 50.17 3.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.62 164.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 p -147.43 131.38 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -174.45 85.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.08 109.7 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.7 m -126.0 161.99 26.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -75.58 126.12 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.55 166.39 18.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 140.35 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -33.52 22.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.563 ' HB2' HD11 ' A' ' 148' ' ' ILE . 4.1 p30 -80.12 -34.52 37.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -72.86 123.78 24.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 123' ' ' THR . 2.8 m -123.65 16.37 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -141.83 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.43 154.02 31.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.596 HG21 ' HD2' ' A' ' 151' ' ' PRO . 47.9 t -132.39 147.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.845 HG23 ' HG3' ' A' ' 144' ' ' LYS . 3.2 m -143.34 102.74 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.2 p -100.36 132.89 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.62 141.69 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.731 HG22 HG12 ' A' ' 162' ' ' VAL . 3.9 p -146.95 138.26 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.508 ' O ' HG13 ' A' ' 132' ' ' VAL . 62.2 mtt180 -109.19 150.04 28.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -160.55 112.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 133' ' ' LEU . 0.1 OUTLIER -63.8 126.62 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.6 m -162.29 141.78 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -61.59 -22.88 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.79 139.93 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 39.93 85.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.0 -6.31 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 139' ' ' LEU . 4.3 pp -64.19 144.83 98.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 146.05 59.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.3 tm? -89.11 136.65 32.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.727 ' N ' HD13 ' A' ' 141' ' ' LEU . 61.7 t -143.38 98.7 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.3 m -88.12 124.63 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.845 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -113.27 143.68 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ptp -158.07 -168.71 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.64 151.43 50.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -165.8 172.95 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 121' ' ' ASP . 5.6 mt -92.12 43.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 166.23 -118.25 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.78 74.56 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.596 ' HD2' HG21 ' A' ' 126' ' ' VAL . 53.3 Cg_endo -69.8 81.34 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -48.19 -49.4 32.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.446 HG22 HD12 ' A' ' 156' ' ' LEU . 64.4 mt 49.42 84.19 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.479 ' HB3' HD23 ' A' ' 158' ' ' LEU . 54.0 Cg_endo -69.79 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.5 m -67.43 -13.52 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.446 HD12 HG22 ' A' ' 153' ' ' ILE . 2.2 mp -64.33 -15.53 60.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 151.38 -50.87 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 154' ' ' PRO . 0.2 OUTLIER 50.97 57.49 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.46 -84.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 54.83 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 7.8 t80 47.16 59.91 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.731 HG12 HG22 ' A' ' 130' ' ' THR . 14.0 m -50.3 135.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.6 m -113.93 131.08 56.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.9 mm -100.03 106.36 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.68 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -89.68 95.62 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 95.8 m -107.6 136.41 47.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.67 146.38 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -91.58 46.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.73 137.12 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.2 t -58.77 133.78 56.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 103' ' ' CYS . 24.0 mt 50.05 38.99 18.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.22 22.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.68 -13.43 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -174.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 170' ' ' SER . 3.2 pt -141.99 176.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -100.06 136.4 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.589 ' HA ' HD23 ' A' ' 171' ' ' LEU . 60.1 m -146.0 -172.1 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -95.74 124.46 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -120.73 42.96 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 165.47 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -78.28 -55.32 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.01 -115.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 62.63 40.4 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.51 -20.27 11.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.13 41.76 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.3 p -55.09 176.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.3 p -127.86 155.14 44.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -174.9 92.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 106.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 m -125.21 154.71 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -73.68 124.86 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.9 m -74.92 -173.84 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.57 144.81 33.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -52.69 -31.21 36.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.93 -34.67 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.4 p -78.85 118.5 20.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -117.73 22.14 12.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -142.84 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -113.64 152.79 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.18 144.15 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 71.6 m -130.98 113.68 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.9 p -108.68 107.02 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.13 104.59 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.814 0.256 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -86.21 139.55 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.672 ' N ' HD13 ' A' ' 141' ' ' LEU . 95.5 t -133.51 95.63 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.4 m -97.04 119.92 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -109.47 149.63 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.12 -167.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.79 157.24 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -165.51 172.61 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.65 43.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.23 -111.67 0.49 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.741 . . . . 0.0 110.904 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.87 120.69 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.69 104.28 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.13 166.52 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.3 151.47 5.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -92.26 49.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.92 136.65 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 101' ' ' ILE . 80.4 p -58.21 134.65 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.8 mt 47.39 39.47 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.34 22.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -103.41 3.22 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -63.56 -177.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.733 0.301 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 pt -135.99 179.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -103.32 134.8 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.518 ' HA ' HD23 ' A' ' 171' ' ' LEU . 56.1 m -143.85 -172.39 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -95.47 122.09 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.77 37.17 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.38 168.09 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -88.08 -53.04 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.62 -118.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 63.96 43.17 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.76 0.32 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.54 46.74 4.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.44 178.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.1 p -125.81 150.63 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -176.02 87.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.57 110.83 3.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -132.44 164.57 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -76.72 142.15 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 76.3 m -88.43 -174.08 4.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.74 145.01 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -50.49 -30.23 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.585 ' HB2' HD11 ' A' ' 148' ' ' ILE . 2.3 p30 -80.93 -42.43 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.8 p -72.64 138.55 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.92 7.47 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -133.49 177.2 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -127.29 136.23 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.69 141.71 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.2 m -129.13 102.48 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.9 p -101.77 106.73 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.12 104.53 14.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.839 0.266 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.6 tm? -75.78 137.42 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 141' ' ' LEU . 78.7 t -137.11 98.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.6 m -96.6 123.42 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -111.43 137.34 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -157.37 -169.08 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -123.16 154.75 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.73 164.99 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 121' ' ' ASP . 8.5 mt -90.74 45.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.79 -119.2 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.56 124.84 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.13 108.91 10.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.69 152.45 35.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.04 153.37 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.05 48.78 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.78 136.7 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.3 t -59.72 135.02 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 103' ' ' CYS . 34.8 mt 48.85 37.51 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.4 p -81.2 22.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.85 -22.6 17.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -143.68 139.13 29.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.525 ' N ' HG23 ' A' ' 123' ' ' THR . 6.7 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.317 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.65 -174.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -104.14 130.58 51.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.62 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.9 m -146.27 178.22 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.92 132.04 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -126.63 32.75 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.35 125.21 30.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -106.12 26.63 9.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.46 -128.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -148.03 -176.04 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.56 29.18 11.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.01 28.13 38.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 33.0 t -42.47 136.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 p -132.3 157.55 44.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -174.48 99.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.98 111.27 3.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -132.23 161.58 33.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -75.68 123.88 26.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.26 -174.92 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -84.31 145.56 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -50.33 -31.31 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.52 -42.55 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -75.41 120.1 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 100' ' ' MET . 3.3 m -118.98 10.23 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -138.72 161.39 37.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -108.53 158.13 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.401 HG13 ' SG ' ' A' ' 166' ' ' CYS . 45.5 t -133.36 140.81 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -119.9 114.58 22.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 p -121.33 146.26 47.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -148.95 132.71 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.664 ' OG1' HD12 ' A' ' 141' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.795 0.248 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.664 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.1 tm? -101.26 135.14 43.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.546 ' H ' HD22 ' A' ' 141' ' ' LEU . 21.3 t -144.14 120.66 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.6 m -128.71 142.87 50.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm -122.25 152.87 39.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -163.22 -168.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -125.17 157.88 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -165.51 166.43 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.2 mt -91.38 41.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.55 -112.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 74.3 mt -143.24 115.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.77 113.18 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.401 ' SG ' HG13 ' A' ' 126' ' ' VAL . 5.9 m -111.86 164.67 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.69 149.51 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -91.23 46.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 137.35 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 33.0 p -58.24 134.53 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 103' ' ' CYS . 33.7 mt 47.3 39.52 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.5 p -82.69 22.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -104.2 -3.02 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -143.27 146.25 33.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.543 ' N ' HG23 ' A' ' 123' ' ' THR . 6.6 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 123' ' ' THR . 2.7 pt -137.37 179.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -97.84 132.21 43.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.621 ' HA ' HD23 ' A' ' 171' ' ' LEU . 61.2 m -146.33 179.97 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -95.45 127.78 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -125.33 39.33 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.73 165.97 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -90.11 -177.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.637 ' H ' HG22 ' A' ' 107' ' ' THR . . . -66.96 -133.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 66.82 31.84 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.37 7.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.56 14.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.9 p -58.02 167.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 p -108.37 148.6 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -175.14 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.51 118.05 5.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 p -138.88 152.12 47.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -75.54 135.0 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.57 168.51 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 146.88 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -50.74 -39.76 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.81 -35.4 62.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -78.38 115.96 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.543 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -121.03 26.39 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -145.05 157.99 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.27 149.84 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.9 t -133.95 147.6 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.76 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 18.0 m -132.25 127.01 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 72.2 p -119.14 100.12 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.634 ' CB ' HG22 ' A' ' 142' ' ' VAL . . . -101.19 103.16 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.858 0.274 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.37 100.17 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 129' ' ' ALA . 15.3 t -104.72 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 99.6 m -100.18 134.72 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 127' ' ' THR . 2.4 mppt? -116.15 157.4 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 ptp -162.28 -166.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.03 157.4 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -166.0 175.15 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.4 mt -91.25 42.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 150.37 -111.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.12 143.82 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.76 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -127.61 100.15 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.37 133.75 52.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.72 146.84 26.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 36.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.49 135.39 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.4 p -57.76 133.49 55.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 103' ' ' CYS . 64.8 mt 48.68 39.86 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.0 p -81.34 22.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -104.95 4.86 32.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -63.4 -175.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.717 0.294 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.4 pt -88.46 175.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -93.82 135.54 35.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 58.9 m -145.78 174.06 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 171' ' ' LEU . 28.0 m-70 -94.62 105.03 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.04 44.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 t -87.47 170.81 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.5 m -73.42 -82.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 163.84 -98.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 59.51 24.04 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.98 -26.15 4.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.42 43.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.7 t -50.49 157.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 p -141.28 147.99 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -174.35 90.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.68 100.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -129.14 144.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 152.41 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -103.79 -178.98 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -80.33 159.91 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -48.6 -46.14 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.48 -38.56 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.7 m -69.45 107.28 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 t -116.85 1.13 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -136.41 166.78 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.01 158.1 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 166' ' ' CYS . 47.9 t -137.39 141.13 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.483 HG23 ' CG ' ' A' ' 144' ' ' LYS . 4.9 m -128.94 91.84 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.765 HG22 HG23 ' A' ' 164' ' ' ILE . 13.7 p -98.98 151.86 20.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 118.23 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.814 0.256 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -81.63 140.4 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 141' ' ' LEU . 3.0 t -123.43 160.85 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.563 HG22 ' CE ' ' A' ' 145' ' ' MET . 87.3 m -159.98 113.2 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.483 ' CG ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -111.89 140.72 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HG22 ' A' ' 143' ' ' THR . 1.2 pmm? -162.41 -177.02 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.47 157.15 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -165.47 173.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 121' ' ' ASP . 7.5 mt -90.2 48.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.84 -121.25 1.98 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.765 HG23 HG22 ' A' ' 128' ' ' THR . 3.7 mp -129.75 144.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.48 99.72 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 126' ' ' VAL . 15.3 m -108.39 165.23 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.83 150.6 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -91.16 45.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.67 138.02 49.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 76.1 p -60.53 134.53 57.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 104' ' ' HIS . 41.0 mt 50.13 36.52 12.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.14 22.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -105.3 -12.31 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 130.03 41.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.83 169.87 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -95.13 132.82 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 15.2 m -141.53 -174.83 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.592 ' CE1' HD22 ' A' ' 171' ' ' LEU . 25.9 m-70 -96.13 109.32 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.42 34.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.3 167.99 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.3 OUTLIER -103.36 170.72 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.652 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . -81.8 98.38 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD2' ' HB ' ' A' ' 107' ' ' THR . 66.0 m-85 -155.02 42.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.68 11.58 9.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.26 27.99 56.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.7 p -56.37 172.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.1 p -133.48 165.99 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -175.06 82.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.63 101.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -128.37 161.33 29.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -76.06 129.47 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 88.8 m -74.86 -177.6 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.7 140.04 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -47.76 -32.25 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.27 -47.25 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -72.3 115.28 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -106.4 16.39 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -146.94 172.83 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.23 143.39 46.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -120.4 152.87 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 144' ' ' LYS . 4.7 m -134.2 122.03 22.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.5 p -121.84 112.39 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -111.8 88.42 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.796 0.248 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.652 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -98.81 82.83 2.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 90.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.8 m -97.81 131.01 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -116.88 132.84 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.8 ptp -148.85 -164.9 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -126.8 160.66 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -163.23 170.68 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.09 40.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.98 -113.42 0.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.516 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.643 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 49.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 53.1 mt -141.36 120.27 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.15 117.82 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.95 155.2 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 150.75 6.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.98 45.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.79 135.58 45.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.9 p -58.76 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.592 HD22 ' CE1' ' A' ' 104' ' ' HIS . 18.8 mt 50.03 38.67 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.4 p -83.83 22.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.48 -8.51 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -174.64 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -115.64 169.87 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -101.94 137.91 39.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.607 ' C ' HD23 ' A' ' 171' ' ' LEU . 35.4 m -143.64 -171.37 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.426 ' CE1' HD22 ' A' ' 171' ' ' LEU . 19.5 m-70 -95.39 131.06 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.88 48.16 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.0 t -81.33 163.63 22.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.4 m -74.29 -57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.665 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.9 89.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -151.88 76.09 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.56 30.85 26.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.71 80.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.8 p -55.4 177.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 p -134.95 157.98 45.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -171.32 83.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.11 108.91 1.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -135.97 151.74 50.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -74.66 131.31 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -79.94 168.31 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.96 147.97 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.14 -30.22 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.04 -40.02 16.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 m -49.39 128.15 16.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.446 HG23 ' CD2' ' A' ' 124' ' ' HIS . 11.0 t -124.79 -8.18 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.446 ' CD2' HG23 ' A' ' 123' ' ' THR . 41.9 m-70 -135.92 162.93 31.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.77 155.16 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.506 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.5 t -136.64 140.8 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.797 HG23 ' HD3' ' A' ' 144' ' ' LYS . 5.2 m -127.9 118.34 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 33.9 p -119.69 107.34 13.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -103.54 97.74 7.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.841 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.665 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.5 tt -102.69 101.47 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -87.86 97.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 49.9 m -84.63 106.27 16.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.797 ' HD3' HG23 ' A' ' 127' ' ' THR . 9.0 mmtp -90.26 129.84 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.8 ttp -157.92 150.3 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -93.58 155.9 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -158.34 172.0 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 148' ' ' ILE . 14.1 mm -93.21 55.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 142.0 -109.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 -179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.1 mt -141.6 129.35 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.46 109.57 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.506 ' SG ' HG13 ' A' ' 126' ' ' VAL . 4.7 m -110.19 160.84 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.82 148.31 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -91.1 45.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 137.87 48.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.5 p -60.11 133.65 56.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.1 mt 51.02 36.47 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.76 22.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -102.19 -3.82 26.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.9 -173.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.78 -171.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -110.23 132.14 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.593 ' HA ' HD23 ' A' ' 171' ' ' LEU . 41.2 m -143.42 -174.24 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -86.2 132.24 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.47 25.36 9.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -85.01 168.46 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -96.78 24.6 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 66.95 -98.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.11 21.0 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.46 31.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.23 49.46 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 3.4 t -54.51 138.93 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 p -106.5 137.26 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.72 91.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.76 109.51 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -122.01 170.22 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -75.54 131.85 40.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.34 -175.62 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.38 147.48 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -50.05 -37.21 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.7 p30 -85.19 -31.9 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -72.14 120.1 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.45 15.94 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -146.12 163.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.42 139.3 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 128' ' ' THR . 64.3 t -116.11 110.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.68 92.6 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 126' ' ' VAL . 31.6 p -92.7 110.81 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -119.73 109.84 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.84 0.267 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 142' ' ' VAL . 3.4 tm? -96.6 137.7 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.555 ' N ' HD13 ' A' ' 141' ' ' LEU . 75.8 t -132.84 147.58 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.7 m -146.07 116.91 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 115.77 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 ttp -137.38 153.21 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.76 156.14 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -165.39 171.58 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 148' ' ' ILE . 3.2 mp -92.03 51.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.92 -119.92 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.912 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.7 mt -145.44 113.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -108.15 102.52 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 28.3 m -102.89 152.27 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 151.82 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.94 44.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.21 134.56 45.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.7 p -56.74 133.45 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 103' ' ' CYS . 23.5 mt 47.85 41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.67 21.65 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -109.2 -7.56 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -174.8 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 123' ' ' THR . 39.9 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.64 -178.33 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -98.18 135.34 39.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.567 ' C ' HD23 ' A' ' 171' ' ' LEU . 36.6 m -146.0 -176.76 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -95.87 130.95 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -126.6 38.48 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.58 155.78 25.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 107' ' ' THR . 9.8 m -73.67 -5.89 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.53 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -139.9 45.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.95 2.83 18.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.46 30.44 2.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 30.1 p -56.96 -178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -145.98 136.71 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.98 102.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.56 125.56 7.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.2 t -137.72 162.81 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -75.86 135.51 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.4 m -90.69 162.74 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.48 145.88 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -51.62 -33.01 31.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' HD11 ' A' ' 148' ' ' ILE . 10.8 m-20 -73.6 -42.3 61.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -71.08 116.29 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 100' ' ' MET . 3.1 m -122.26 27.44 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -144.12 157.51 44.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.0 m -106.71 133.06 51.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.93 145.31 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -141.06 111.28 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.7 p -109.3 168.41 9.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.51 114.82 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.774 0.239 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.0 107.22 7.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 143' ' ' THR . 93.5 t -83.82 155.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.5 m -156.43 120.13 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 144.17 43.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.6 ptp -160.98 -170.75 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.71 159.45 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.13 174.01 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 121' ' ' ASP . 3.8 mt -90.95 38.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.02 -109.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.659 0.743 . . . . 0.0 110.897 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 35.8 mm -128.14 147.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.687 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -135.48 103.71 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.51 124.24 46.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 140.03 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.42 47.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 136.09 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 18.5 m -61.43 132.18 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.567 HD23 ' C ' ' A' ' 103' ' ' CYS . 64.9 mt 54.43 35.81 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -80.86 20.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -20.49 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -85.54 -178.46 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.764 ' N ' HG23 ' A' ' 123' ' ' THR . 2.9 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.39 -177.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -109.26 134.2 52.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.507 ' C ' HD23 ' A' ' 171' ' ' LEU . 30.6 m -144.29 -179.8 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 171' ' ' LEU . 12.8 m-70 -89.9 135.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -129.58 27.21 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.24 168.15 17.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.2 m -74.55 -52.69 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.96 -104.64 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 59.52 48.9 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.15 -17.92 26.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.68 42.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -53.62 142.73 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -108.21 148.2 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -174.76 73.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.478 ' CA ' HD21 ' A' ' 171' ' ' LEU . . . -72.15 101.51 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 177.65 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 141.45 41.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.2 m -97.33 168.86 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 148.35 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -49.95 -45.1 50.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.56 -40.05 94.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.7 p -79.39 99.25 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.764 HG23 ' N ' ' A' ' 100' ' ' MET . 3.7 m -105.4 15.18 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -132.36 176.96 7.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.4 m -119.27 142.08 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.517 HG21 ' HB2' ' A' ' 147' ' ' HIS . 2.1 t -130.0 147.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 173' ' ' ASN . 1.9 m -136.69 142.32 43.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.3 p -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -118.07 141.93 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.827 0.261 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -89.16 140.28 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 141' ' ' LEU . 99.8 t -139.04 92.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -96.66 126.49 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 151.11 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 -164.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.33 166.86 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . 0.517 ' HB2' HG21 ' A' ' 126' ' ' VAL . 6.6 t60 -165.99 175.55 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 148' ' ' ILE . 2.1 mt -83.46 19.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.69 100.06 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.842 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.805 0.336 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 44.7 mt -100.65 148.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -124.26 113.83 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.36 108.72 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.04 135.71 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.22 46.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.81 134.69 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 5.4 p -57.35 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 104' ' ' HIS . 30.7 mt 51.13 44.23 28.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.02 20.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.508 ' HB3' HG23 ' A' ' 127' ' ' THR . 0.6 OUTLIER -112.07 0.02 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -174.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.3 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.07 166.92 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -96.06 137.52 35.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.536 ' C ' HD23 ' A' ' 171' ' ' LEU . 84.0 m -146.39 -177.28 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CE1' HD22 ' A' ' 171' ' ' LEU . 97.2 m-70 -96.65 119.27 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -113.65 43.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.62 158.93 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -57.98 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.746 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.05 93.13 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -152.54 80.64 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.63 27.22 47.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.548 ' HA2' HG21 ' A' ' 142' ' ' VAL . . . 73.47 39.77 49.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.2 -177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 p -147.52 159.04 44.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -174.93 78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.59 103.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.2 175.07 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 145.52 37.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.94 177.05 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.45 142.93 46.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -48.94 -32.44 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.69 -42.26 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.6 p -79.93 119.41 22.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -117.22 19.58 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -140.98 178.07 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.42 145.99 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.9 t -124.06 122.25 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.745 HG23 ' HG2' ' A' ' 144' ' ' LYS . 1.8 m -110.94 120.99 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.4 p -129.04 129.44 45.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.89 127.78 53.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.767 0.236 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.746 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.4 tt -133.57 99.16 4.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.548 HG21 ' HA2' ' A' ' 111' ' ' GLY . 39.3 t -83.79 100.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.37 104.33 16.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.745 ' HG2' HG23 ' A' ' 127' ' ' THR . 15.3 mtmt -112.16 146.83 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 ptp -163.27 -167.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.64 153.73 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -159.92 170.09 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.03 43.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 152.1 -114.09 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.429 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.04 130.68 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.5 m -101.56 161.18 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.17 142.73 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -89.78 36.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.47 139.8 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 15.5 p -60.99 134.36 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 104' ' ' HIS . 62.0 mt 50.16 36.1 11.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.3 p -80.65 21.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -21.49 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -143.11 149.97 38.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pt -99.57 177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -98.99 133.71 42.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.603 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.8 m -146.22 -170.54 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -96.05 126.46 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -122.93 39.12 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.36 131.67 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -105.49 8.21 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.77 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -145.86 -172.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.67 29.94 13.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.78 26.23 38.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.1 t -46.21 139.4 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -133.89 160.2 38.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -174.55 95.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.33 110.71 1.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.56 140.46 35.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 151.66 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.03 159.57 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.01 146.54 32.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -49.98 -31.78 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.41 -43.76 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -72.38 120.16 17.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.606 HG23 ' CD2' ' A' ' 124' ' ' HIS . 11.9 t -116.38 -0.93 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.606 ' CD2' HG23 ' A' ' 123' ' ' THR . 23.7 m170 -131.68 167.11 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 m -110.01 149.66 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 166' ' ' CYS . 98.8 t -130.32 128.31 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.612 HG23 ' CG ' ' A' ' 144' ' ' LYS . 1.3 m -113.96 116.59 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.7 p -115.25 142.47 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.18 113.13 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 141' ' ' LEU . 2.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.802 0.251 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.421 ' HB3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -84.45 123.07 29.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.563 HG12 ' HE2' ' A' ' 144' ' ' LYS . 21.6 t -120.77 116.67 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 83.5 m -120.54 117.66 28.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.612 ' CG ' HG23 ' A' ' 127' ' ' THR . 10.3 mtmt -109.01 149.0 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.81 -163.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.9 m -134.15 147.95 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -165.94 171.95 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 148' ' ' ILE . 4.2 mp -88.77 61.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.44 175.91 16.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 110.88 -179.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.7 131.34 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -137.24 114.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 126' ' ' VAL . 37.0 m -115.75 164.74 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.37 151.66 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.98 37.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.46 136.97 54.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.3 p -59.34 134.15 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 103' ' ' CYS . 65.7 mt 48.27 38.38 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.89 21.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -103.89 2.75 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -63.05 134.1 55.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.524 ' N ' HG23 ' A' ' 123' ' ' THR . 4.2 ptp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.1 pt -139.13 176.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -93.93 138.29 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.663 ' CA ' HD23 ' A' ' 171' ' ' LEU . 72.5 m -146.83 167.42 23.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.709 ' CE1' HD22 ' A' ' 171' ' ' LEU . 75.7 m-70 -91.43 94.53 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -87.52 73.97 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.34 153.16 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -74.22 -64.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.61 68.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -153.34 101.81 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.35 33.65 32.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.59 47.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.7 p -56.08 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 p -115.17 161.73 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.73 86.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.4 100.48 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 m -126.37 147.91 49.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -73.28 124.83 26.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.2 m -74.86 167.48 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 119' ' ' LEU . 0.7 OUTLIER -60.27 142.34 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -50.73 -34.93 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 148' ' ' ILE . 4.3 m-20 -84.97 -32.83 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -78.74 123.26 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -119.89 17.01 12.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -140.19 158.85 43.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.57 152.0 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.589 HG13 ' SG ' ' A' ' 166' ' ' CYS . 10.9 t -135.84 157.0 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.624 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 73.7 m -135.22 139.75 44.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 46.4 p -131.99 106.26 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -99.91 113.78 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.855 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.846 0.269 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -95.68 137.8 34.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.685 ' N ' HD13 ' A' ' 141' ' ' LEU . 92.4 t -142.9 90.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 46.3 m -86.17 141.86 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.528 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.1 mmtp -127.01 150.74 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.73 -172.89 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 13.3 m -125.69 151.13 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -155.0 173.32 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 121' ' ' ASP . 8.5 mt -90.9 46.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.44 -112.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.869 0.366 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 60.4 mt -119.6 113.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -114.62 102.71 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.589 ' SG ' HG13 ' A' ' 126' ' ' VAL . 8.1 m -109.37 157.92 18.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.75 143.26 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -89.97 47.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.07 137.28 42.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.8 p -59.23 133.78 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.709 HD22 ' CE1' ' A' ' 104' ' ' HIS . 22.8 mt 50.23 38.45 17.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -81.5 21.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -16.33 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -174.65 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.3 pt -115.13 179.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -105.53 134.82 48.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.564 ' C ' HD23 ' A' ' 171' ' ' LEU . 59.7 m -146.23 -175.43 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.637 ' CE1' HD22 ' A' ' 171' ' ' LEU . 16.1 m-70 -93.66 129.68 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -124.11 39.48 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.7 160.05 21.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 107' ' ' THR . 11.7 m -74.12 -6.5 48.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.32 126.36 0.11 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -160.47 43.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.63 35.03 5.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.71 30.69 4.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.4 t -51.27 160.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 p -140.38 137.03 33.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -174.74 82.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.07 106.64 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.6 t -124.2 170.14 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.02 144.13 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.7 156.93 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 141.37 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -29.38 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.4 -39.12 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -75.17 112.33 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.28 24.89 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -148.16 171.94 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.9 m -124.26 149.75 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 166' ' ' CYS . 21.4 t -127.89 135.53 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -131.12 94.7 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -107.37 175.98 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.69 138.04 24.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.635 ' OG1' HD12 ' A' ' 141' ' ' LEU . 10.7 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.834 0.264 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.635 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.2 tm? -90.81 136.33 33.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 141' ' ' LEU . 2.6 t -122.84 162.69 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 142' ' ' VAL . 35.1 m -151.71 109.07 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -104.2 137.87 41.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.8 -174.74 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.09 157.33 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -165.63 171.09 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.6 41.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.89 -117.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 mp -125.98 136.95 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.11 101.3 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 126' ' ' VAL . 11.1 m -111.37 167.28 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -171.01 152.32 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -91.75 49.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.31 136.86 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.4 p -59.85 134.29 56.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.637 HD22 ' CE1' ' A' ' 104' ' ' HIS . 36.4 mt 50.89 36.44 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -83.1 22.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.05 -11.18 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -173.74 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.556 ' HB3' HG23 ' A' ' 123' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.306 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 pt -90.89 174.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -101.03 137.67 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.613 ' HA ' HD23 ' A' ' 171' ' ' LEU . 39.3 m -145.96 -178.71 6.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.6 m-70 -95.96 115.96 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -108.63 58.83 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.82 151.63 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -85.68 -23.67 27.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 143.41 -153.29 24.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 68.5 74.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.05 22.53 75.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.17 67.53 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.61 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -126.08 137.6 53.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -170.73 95.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 104.55 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -116.34 156.83 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -74.96 122.86 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.1 m -78.4 166.21 22.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.62 142.9 32.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -47.85 -36.34 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -85.51 -34.69 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -71.1 95.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 100' ' ' MET . 0.2 OUTLIER -102.07 20.67 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -142.21 157.05 45.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.69 157.43 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.9 t -137.08 139.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 m -124.22 108.28 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.3 p -113.52 170.64 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -145.09 118.79 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.207 0 CA-C-O 120.831 0.263 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.6 OUTLIER -100.24 105.87 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 143' ' ' THR . 22.6 t -84.31 157.71 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.7 m -155.56 118.48 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.22 156.13 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.43 -168.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 10.0 m -135.12 154.8 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -166.36 174.59 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.565 ' H ' HD12 ' A' ' 148' ' ' ILE . 2.7 mp -91.82 42.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 163.87 -111.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.838 -179.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 64.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.5 mt -142.86 143.6 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.24 117.36 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.059 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.63 149.44 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.06 148.24 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.34 45.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.6 p -62.06 135.41 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.1 mt 49.84 34.87 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.45 21.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -97.99 2.6 49.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -61.82 -178.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.412 ' N ' HG23 ' A' ' 123' ' ' THR . 29.5 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.711 0.291 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.54 159.38 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -86.28 139.13 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.543 ' C ' HD23 ' A' ' 171' ' ' LEU . 61.5 m -144.76 170.47 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.561 ' CD2' HD22 ' A' ' 171' ' ' LEU . 88.8 m-70 -93.54 121.73 35.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.05 58.73 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -80.72 146.2 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -74.53 -46.19 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.77 -139.2 7.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 65.86 60.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.56 -17.69 58.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.36 51.41 1.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.5 p -56.56 -178.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.7 p -125.27 149.71 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -171.63 91.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.1 113.26 4.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 p -133.78 145.03 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -75.63 133.16 40.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.82 177.57 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 154.63 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -49.43 -35.71 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.724 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.72 -46.94 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.2 134.41 46.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 123' ' ' THR . 3.6 m -136.12 7.39 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -131.77 151.96 51.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.1 m -97.98 127.56 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.527 HG13 ' SG ' ' A' ' 150' ' ' CYS . 25.0 t -115.2 145.71 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 40.2 m -141.75 133.72 27.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.0 p -144.73 166.24 25.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 141' ' ' LEU . . . -172.28 179.68 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.83 0.263 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.701 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -100.85 144.25 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.701 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -142.19 106.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.7 m -110.47 128.19 55.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -131.73 147.0 52.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 -162.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.68 163.33 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -165.82 163.23 18.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 121' ' ' ASP . 4.5 mt -93.0 54.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 144.22 -15.26 2.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 126' ' ' VAL . 47.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -140.58 148.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.736 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -150.05 106.25 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 80.2 m -103.15 130.03 50.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.82 135.71 8.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -90.28 45.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.46 136.89 54.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.3 p -54.89 122.05 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 104' ' ' HIS . 29.5 mt 54.6 49.1 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.9 p -81.09 19.1 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -17.2 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -175.46 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 pt -134.63 174.97 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -101.49 136.7 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 51.0 m -145.92 -170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.41 139.01 32.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -138.72 29.05 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.55 163.29 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -73.83 170.85 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 107' ' ' THR . . . -100.7 126.06 8.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -164.4 26.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.74 -4.25 7.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.39 46.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.4 t -52.11 157.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 p -134.5 133.05 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -174.67 102.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.81 114.08 3.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 t -127.37 166.51 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -75.67 136.6 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.22 162.14 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 148.44 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -30.82 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -38.69 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 p -114.9 -4.25 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.1 178.07 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -122.19 148.91 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.78 134.91 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.718 HG23 ' HD3' ' A' ' 144' ' ' LYS . 9.7 m -123.41 113.26 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.8 p -102.37 130.94 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.14 101.42 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.804 0.252 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -92.44 153.41 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.75 ' N ' HD13 ' A' ' 141' ' ' LEU . 5.3 t -145.22 160.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 142' ' ' VAL . 4.4 m -156.94 111.87 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.718 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.2 mmtp -95.09 140.97 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -174.16 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.04 153.3 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.01 167.33 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 148' ' ' ILE . 39.2 mt -84.23 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 126.43 -117.18 2.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 123.36 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -93.8 92.88 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.58 130.62 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 143.88 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.413 ' H ' ' HG3' ' A' ' 168' ' ' GLN . 3.5 pp0? -91.44 44.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.32 137.91 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.4 p -59.11 134.48 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.594 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.2 mt 49.22 38.96 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.35 21.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -104.78 -10.53 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -70.36 -172.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.433 ' N ' HG22 ' A' ' 123' ' ' THR . 13.3 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -100.63 171.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -94.12 131.62 39.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.577 ' HA ' HD23 ' A' ' 171' ' ' LEU . 72.7 m -146.61 -175.26 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -95.23 132.15 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.85 34.77 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.38 159.75 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 85.3 m -74.62 -45.02 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.35 125.0 3.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -163.63 64.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.63 37.48 57.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 107.05 37.96 2.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.01 162.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 p -150.24 141.61 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -175.57 77.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.75 105.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 t -132.01 161.05 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -76.46 132.87 39.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.56 171.9 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.53 144.81 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -48.98 -32.45 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.649 ' HB3' HD11 ' A' ' 148' ' ' ILE . 3.0 m-20 -65.29 -49.9 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 m -76.46 111.45 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 100' ' ' MET . 5.9 p -116.58 0.41 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.53 146.45 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.66 135.45 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.725 HG22 ' SG ' ' A' ' 150' ' ' CYS . 87.7 t -123.51 147.62 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.783 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 2.5 m -140.39 130.5 24.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 p -130.57 147.88 52.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 130' ' ' THR . . . -146.28 128.45 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.846 0.269 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -74.29 139.55 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.667 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -134.5 103.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.7 m -98.12 129.12 44.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.518 ' HD2' HG12 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -118.65 141.18 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -165.72 179.36 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.0 m -117.36 168.44 10.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -166.17 165.8 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 121' ' ' ASP . 13.8 mt -91.27 62.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 140.44 -5.01 2.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.725 ' SG ' HG22 ' A' ' 126' ' ' VAL . 48.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.3 mt -134.11 139.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -122.37 115.74 22.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.12 129.49 55.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.68 141.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -91.33 41.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 140.92 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.38 133.57 55.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 103' ' ' CYS . 31.1 mt 50.82 36.13 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 10.9 p -83.76 20.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -104.0 -10.29 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -176.18 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.8 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.65 174.31 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -113.09 138.6 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.554 ' HA ' HD23 ' A' ' 171' ' ' LEU . 14.0 m -145.21 -175.13 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.662 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.2 m-70 -90.48 124.26 34.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -124.87 44.22 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.35 168.12 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -78.96 -47.93 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.85 -119.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 64.72 43.4 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.33 21.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.99 35.04 6.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 4.0 t -51.23 142.24 13.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -113.23 156.34 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.83 89.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.492 ' HA2' HD21 ' A' ' 171' ' ' LEU . . . -64.45 100.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.6 t -122.21 162.88 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 136.02 52.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.5 m -98.45 163.87 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 142.1 41.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -50.82 -39.97 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 148' ' ' ILE . 3.0 p30 -71.33 -38.51 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.1 p -74.12 114.5 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.51 16.23 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -139.14 168.17 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.64 150.22 44.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.569 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.1 t -138.25 154.36 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 144' ' ' LYS . 57.0 m -150.91 141.38 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.773 HG22 HG23 ' A' ' 164' ' ' ILE . 17.4 p -140.43 124.2 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' THR . . . -108.12 107.02 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.827 0.261 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 142' ' ' VAL . 2.6 tm? -74.39 137.24 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.703 ' N ' HD13 ' A' ' 141' ' ' LEU . 93.0 t -125.03 100.98 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.8 m -96.94 125.8 41.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.465 ' HG2' HG23 ' A' ' 127' ' ' THR . 71.3 mttt -118.63 148.36 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -173.21 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.06 156.0 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -165.47 176.07 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' ' 121' ' ' ASP . 6.9 mt -90.1 45.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 131.83 -175.06 19.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.89 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.773 HG23 HG22 ' A' ' 128' ' ' THR . 19.4 mt -107.18 143.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -129.04 112.33 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 126' ' ' VAL . 17.9 m -116.09 148.57 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.39 149.3 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -91.26 46.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.81 135.86 45.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.66 134.03 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 104' ' ' HIS . 47.4 mt 49.82 38.51 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.13 22.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -106.16 -11.88 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 129.85 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 18.3 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.07 178.17 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -107.78 136.41 47.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.608 ' C ' HD23 ' A' ' 171' ' ' LEU . 27.1 m -144.58 -172.51 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.608 ' CE1' HD22 ' A' ' 171' ' ' LEU . 20.0 m-70 -95.54 125.06 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.86 40.87 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.02 167.36 18.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -48.53 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.06 110.94 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -157.18 85.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.21 47.22 55.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.17 50.17 3.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.62 164.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 p -147.43 131.38 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -174.45 85.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.08 109.7 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.7 m -126.0 161.99 26.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -75.58 126.12 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.55 166.39 18.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 140.35 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -33.52 22.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.563 ' HB2' HD11 ' A' ' 148' ' ' ILE . 4.1 p30 -80.12 -34.52 37.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -72.86 123.78 24.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 123' ' ' THR . 2.8 m -123.65 16.37 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -141.83 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.43 154.02 31.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.39 147.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.845 HG23 ' HG3' ' A' ' 144' ' ' LYS . 3.2 m -143.34 102.74 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.2 p -100.36 132.89 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.62 141.69 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.813 0.255 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.3 tm? -89.11 136.65 32.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.727 ' N ' HD13 ' A' ' 141' ' ' LEU . 61.7 t -143.38 98.7 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.3 m -88.12 124.63 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.845 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -113.27 143.68 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ptp -158.07 -168.71 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.64 151.43 50.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -165.8 172.95 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 121' ' ' ASP . 5.6 mt -92.12 43.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 166.23 -118.25 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.9 mm -100.03 106.36 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.68 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -89.68 95.62 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 95.8 m -107.6 136.41 47.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.67 146.38 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -91.58 46.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.73 137.12 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.2 t -58.77 133.78 56.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.608 HD22 ' CE1' ' A' ' 104' ' ' HIS . 24.0 mt 50.05 38.99 18.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.22 22.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.68 -13.43 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -174.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 170' ' ' SER . 3.2 pt -141.99 176.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -100.06 136.4 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.589 ' HA ' HD23 ' A' ' 171' ' ' LEU . 60.1 m -146.0 -172.1 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -95.74 124.46 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -120.73 42.96 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 165.47 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -78.28 -55.32 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.01 -115.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 62.63 40.4 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.408 ' N ' HD13 ' A' ' 139' ' ' LEU . . . 117.51 -20.27 11.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.13 41.76 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.3 p -55.09 176.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.3 p -127.86 155.14 44.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -174.9 92.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 106.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 m -125.21 154.71 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -73.68 124.86 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.9 m -74.92 -173.84 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.57 144.81 33.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -52.69 -31.21 36.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.93 -34.67 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.4 p -78.85 118.5 20.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -117.73 22.14 12.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -142.84 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -113.64 152.79 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.18 144.15 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 71.6 m -130.98 113.68 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 66.9 p -108.68 107.02 17.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.13 104.59 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.7 t -160.04 174.35 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.36 -177.28 4.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.594 HG13 ' HB2' ' A' ' 141' ' ' LEU . 4.0 m -122.8 -174.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.45 -18.95 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.05 137.68 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.19 -7.7 57.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.81 102.96 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -135.85 149.55 49.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -95.21 -25.17 16.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 110' ' ' GLY . 1.2 pp -147.16 157.71 45.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.5 69.35 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -86.21 139.55 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.672 ' N ' HD13 ' A' ' 141' ' ' LEU . 95.5 t -133.51 95.63 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.4 m -97.04 119.92 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -109.47 149.63 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.12 -167.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.79 157.24 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -165.51 172.61 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.65 43.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.23 -111.67 0.49 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.5 t -164.76 75.98 1.48 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.741 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.66 133.04 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 156' ' ' LEU . 44.8 mt -145.86 77.56 12.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 53.8 p -66.88 -14.39 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 153' ' ' ILE . 2.3 mp -63.74 -15.35 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -135.61 -122.01 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.0 -1.19 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 118.81 -85.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -163.44 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 45.09 36.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.78 135.48 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.89 132.9 55.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.87 120.69 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -122.69 104.28 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 6.6 m -109.13 166.52 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.3 151.47 5.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -92.26 49.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.92 136.65 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 101' ' ' ILE . 80.4 p -58.21 134.65 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.8 mt 47.39 39.47 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.34 22.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -103.41 3.22 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -63.56 -177.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.733 0.301 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 pt -135.99 179.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -103.32 134.8 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.518 ' HA ' HD23 ' A' ' 171' ' ' LEU . 56.1 m -143.85 -172.39 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -95.47 122.09 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.77 37.17 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.38 168.09 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 m -88.08 -53.04 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.62 -118.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 63.96 43.17 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.76 0.32 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.54 46.74 4.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.44 178.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.1 p -125.81 150.63 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -176.02 87.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.57 110.83 3.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -132.44 164.57 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -76.72 142.15 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 76.3 m -88.43 -174.08 4.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.74 145.01 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -50.49 -30.23 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.585 ' HB2' HD11 ' A' ' 148' ' ' ILE . 2.3 p30 -80.93 -42.43 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.8 p -72.64 138.55 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.92 7.47 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -133.49 177.2 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -127.29 136.23 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.69 141.71 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.2 m -129.13 102.48 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.9 p -101.77 106.73 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.12 104.53 14.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.8 p -115.38 167.6 10.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.96 174.0 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.79 103.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.81 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.645 ' HB3' HG22 ' A' ' 136' ' ' THR . 0.9 OUTLIER -61.39 136.77 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -64.93 -17.13 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 134' ' ' SER . 13.3 t -64.37 -15.23 60.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -136.89 133.97 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -95.25 -63.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.57 153.28 78.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.82 55.32 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.6 tm? -75.78 137.42 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 141' ' ' LEU . 78.7 t -137.11 98.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.6 m -96.6 123.42 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -111.43 137.34 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -157.37 -169.08 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -123.16 154.75 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.73 164.99 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 121' ' ' ASP . 8.5 mt -90.74 45.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.79 -119.2 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.2 t -163.49 73.42 1.87 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 178.89 4.08 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -118.72 134.21 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 45.7 mt -137.3 74.19 48.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.28 34.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.326 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.6 p -67.66 -20.66 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 23.7 mt -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -99.8 -124.42 5.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 159' ' ' GLY . 4.0 pp -119.87 -40.33 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 158' ' ' LEU . . . -141.48 -161.6 8.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -30.55 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.629 2.219 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.77 107.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.52 -174.68 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.8 m -110.75 105.78 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.56 124.84 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.13 108.91 10.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.69 152.45 35.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.04 153.37 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.05 48.78 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.78 136.7 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.3 t -59.72 135.02 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 103' ' ' CYS . 34.8 mt 48.85 37.51 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.4 p -81.2 22.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.85 -22.6 17.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -143.68 139.13 29.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.525 ' N ' HG23 ' A' ' 123' ' ' THR . 6.7 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.317 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.65 -174.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -104.14 130.58 51.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.62 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.9 m -146.27 178.22 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.92 132.04 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -126.63 32.75 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.35 125.21 30.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -106.12 26.63 9.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.46 -128.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -148.03 -176.04 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.727 ' CA ' HD22 ' A' ' 139' ' ' LEU . . . 49.56 29.18 11.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.01 28.13 38.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 33.0 t -42.47 136.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 p -132.3 157.55 44.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -174.48 99.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.98 111.27 3.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -132.23 161.58 33.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -75.68 123.88 26.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.26 -174.92 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -84.31 145.56 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -50.33 -31.31 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.52 -42.55 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -75.41 120.1 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 100' ' ' MET . 3.3 m -118.98 10.23 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -138.72 161.39 37.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -108.53 158.13 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.401 HG13 ' SG ' ' A' ' 166' ' ' CYS . 45.5 t -133.36 140.81 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -119.9 114.58 22.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 p -121.33 146.26 47.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -148.95 132.71 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.664 ' OG1' HD12 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -98.65 123.66 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -74.58 116.16 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.55 109.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 133' ' ' LEU . 1.0 OUTLIER -63.79 -31.97 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 p -95.35 -78.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 55.2 22.75 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 p 53.86 24.63 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -146.49 -177.17 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -95.23 -0.15 53.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.727 HD22 ' CA ' ' A' ' 110' ' ' GLY . 0.7 OUTLIER -144.93 158.96 51.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -174.39 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.664 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.1 tm? -101.26 135.14 43.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.546 ' H ' HD22 ' A' ' 141' ' ' LEU . 21.3 t -144.14 120.66 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.6 m -128.71 142.87 50.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm -122.25 152.87 39.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.8 ptp -163.22 -168.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -125.17 157.88 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -165.51 166.43 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.2 mt -91.38 41.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 162.55 -112.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 48.9 t -165.15 78.79 1.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.3 68.2 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.739 2.293 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -83.76 -49.84 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 153' ' ' ILE . 57.9 mt 50.54 77.1 0.48 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.7 26.76 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.1 m -68.03 -18.43 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.3 mt -75.37 -27.29 59.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -159.0 -122.39 0.66 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.465 HD11 ' CG ' ' A' ' 161' ' ' TYR . 0.2 OUTLIER -122.19 -43.15 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 150.09 -70.17 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.96 11.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.465 ' CG ' HD11 ' A' ' 158' ' ' LEU . 3.6 m-85 -74.86 -62.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.8 126.02 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.7 p -87.42 148.72 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 74.3 mt -143.24 115.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.77 113.18 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.401 ' SG ' HG13 ' A' ' 126' ' ' VAL . 5.9 m -111.86 164.67 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -168.69 149.51 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -91.23 46.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.44 137.35 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 33.0 p -58.24 134.53 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 103' ' ' CYS . 33.7 mt 47.3 39.52 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.5 p -82.69 22.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -104.2 -3.02 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -143.27 146.25 33.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.543 ' N ' HG23 ' A' ' 123' ' ' THR . 6.6 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 123' ' ' THR . 2.7 pt -137.37 179.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -97.84 132.21 43.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.621 ' HA ' HD23 ' A' ' 171' ' ' LEU . 61.2 m -146.33 179.97 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -95.45 127.78 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -125.33 39.33 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.73 165.97 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -90.11 -177.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.637 ' H ' HG22 ' A' ' 107' ' ' THR . . . -66.96 -133.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' HA ' HD13 ' A' ' 139' ' ' LEU . 2.4 m-85 66.82 31.84 7.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.37 7.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.56 14.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.9 p -58.02 167.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 p -108.37 148.6 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -175.14 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.51 118.05 5.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 p -138.88 152.12 47.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -75.54 135.0 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.57 168.51 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 146.88 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -50.74 -39.76 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.81 -35.4 62.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -78.38 115.96 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.543 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -121.03 26.39 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -145.05 157.99 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.27 149.84 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.512 HG21 ' HD2' ' A' ' 151' ' ' PRO . 39.9 t -133.95 147.6 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.76 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 18.0 m -132.25 127.01 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 72.2 p -119.14 100.12 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.726 ' C ' HG23 ' A' ' 162' ' ' VAL . . . -101.19 103.16 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 t -106.14 134.37 49.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -90.34 114.88 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.26 93.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 tp -78.95 120.93 24.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.7 145.67 31.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.07 -17.46 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.0 t -99.03 -19.06 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -105.72 131.17 53.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -144.24 160.96 47.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -164.25 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.37 100.17 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.634 HG22 ' CB ' ' A' ' 129' ' ' ALA . 15.3 t -104.72 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 99.6 m -100.18 134.72 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 127' ' ' THR . 2.4 mppt? -116.15 157.4 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 ptp -162.28 -166.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.03 157.4 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -166.0 175.15 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.4 mt -91.25 42.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 150.37 -111.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 34.1 t -146.6 85.6 7.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.512 ' HD2' HG21 ' A' ' 126' ' ' VAL . 53.3 Cg_endo -69.81 77.53 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.7 107.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.99 81.72 62.28 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.91 22.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 17.7 p -70.62 -21.63 62.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.78 -16.49 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.419 ' O ' HG12 ' A' ' 162' ' ' VAL . . . 158.23 87.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 158' ' ' LEU . 0.4 OUTLIER -85.71 -25.6 26.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -47.76 -68.62 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.03 15.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.284 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 64.16 63.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.726 HG23 ' C ' ' A' ' 129' ' ' ALA . 7.3 p -61.63 129.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.5 m -91.58 132.81 36.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.12 143.82 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.76 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -127.61 100.15 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.37 133.75 52.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.72 146.84 26.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 36.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.49 135.39 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.4 p -57.76 133.49 55.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 103' ' ' CYS . 64.8 mt 48.68 39.86 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.0 p -81.34 22.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -104.95 4.86 32.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -63.4 -175.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.717 0.294 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.4 pt -88.46 175.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -93.82 135.54 35.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 58.9 m -145.78 174.06 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 171' ' ' LEU . 28.0 m-70 -94.62 105.03 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.04 44.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 t -87.47 170.81 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.5 m -73.42 -82.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 163.84 -98.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 59.51 24.04 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.98 -26.15 4.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.42 43.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.7 t -50.49 157.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 p -141.28 147.99 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -174.35 90.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.68 100.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -129.14 144.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 152.41 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.9 m -103.79 -178.98 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -80.33 159.91 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -48.6 -46.14 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.48 -38.56 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.7 m -69.45 107.28 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 t -116.85 1.13 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -136.41 166.78 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.01 158.1 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 166' ' ' CYS . 47.9 t -137.39 141.13 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.483 HG23 ' CG ' ' A' ' 144' ' ' LYS . 4.9 m -128.94 91.84 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.765 HG22 HG23 ' A' ' 164' ' ' ILE . 13.7 p -98.98 151.86 20.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 118.23 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.65 HG21 HG23 ' A' ' 162' ' ' VAL . 81.4 p -150.85 165.63 33.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -133.64 123.87 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.76 ' O ' HD22 ' A' ' 133' ' ' LEU . 6.5 m -104.22 -22.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 132' ' ' VAL . 2.7 mm? -140.72 121.16 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -95.19 -3.23 48.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.39 0.19 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.4 t -105.33 -32.78 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -155.89 147.78 23.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.14 -30.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.37 154.09 39.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.5 69.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -81.63 140.4 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 141' ' ' LEU . 3.0 t -123.43 160.85 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.563 HG22 ' CE ' ' A' ' 145' ' ' MET . 87.3 m -159.98 113.2 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.483 ' CG ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -111.89 140.72 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HG22 ' A' ' 143' ' ' THR . 1.2 pmm? -162.41 -177.02 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.47 157.15 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -165.47 173.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 121' ' ' ASP . 7.5 mt -90.2 48.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.84 -121.25 1.98 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.5 t -164.35 77.53 1.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.65 26.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.8 110.42 22.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.466 HG22 HD12 ' A' ' 156' ' ' LEU . 29.5 mt -133.2 82.84 52.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -6.74 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.299 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 11.2 m -63.72 -24.09 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.466 HD12 HG22 ' A' ' 153' ' ' ILE . 4.1 mp -71.63 -22.83 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -116.14 -123.92 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 158' ' ' LEU . 2.1 mm? -84.77 -65.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 159.1 -67.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.55 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.422 ' CE1' HD23 ' A' ' 158' ' ' LEU . 32.5 p90 -113.62 133.55 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.78 HG13 HD11 ' A' ' 164' ' ' ILE . 6.3 p -152.8 139.11 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.01 119.78 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.78 HD11 HG13 ' A' ' 162' ' ' VAL . 3.7 mp -129.75 144.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.48 99.72 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 126' ' ' VAL . 15.3 m -108.39 165.23 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.83 150.6 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -91.16 45.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.67 138.02 49.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 76.1 p -60.53 134.53 57.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 104' ' ' HIS . 41.0 mt 50.13 36.52 12.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.14 22.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -105.3 -12.31 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 130.03 41.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.83 169.87 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -95.13 132.82 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 118' ' ' CYS . 15.2 m -141.53 -174.83 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.592 ' CE1' HD22 ' A' ' 171' ' ' LEU . 25.9 m-70 -96.13 109.32 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.42 34.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.3 167.99 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.3 OUTLIER -103.36 170.72 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.652 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . -81.8 98.38 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD2' ' HB ' ' A' ' 107' ' ' THR . 66.0 m-85 -155.02 42.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.68 11.58 9.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.26 27.99 56.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.7 p -56.37 172.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.1 p -133.48 165.99 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -175.06 82.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.63 101.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -128.37 161.33 29.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -76.06 129.47 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 88.8 m -74.86 -177.6 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.7 140.04 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -47.76 -32.25 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.27 -47.25 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.7 p -72.3 115.28 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -106.4 16.39 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -146.94 172.83 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.23 143.39 46.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -120.4 152.87 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 144' ' ' LYS . 4.7 m -134.2 122.03 22.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.5 p -121.84 112.39 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -111.8 88.42 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p -81.25 149.31 29.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -118.2 139.73 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.94 98.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.94 116.41 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 57.9 m -144.95 138.39 26.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -62.89 -18.2 62.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -102.67 178.13 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -76.98 81.8 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.77 -43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mt 63.27 152.99 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.7 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 155.09 66.99 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.652 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -98.81 82.83 2.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 90.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.8 m -97.81 131.01 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -116.88 132.84 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.8 ptp -148.85 -164.9 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -126.8 160.66 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -163.23 170.68 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.09 40.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 159.98 -113.42 0.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.516 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 44.8 t -157.22 82.16 3.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.79 59.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.69 -74.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 5.3 mp 47.33 77.9 0.43 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.6 24.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 45.3 p -68.19 -16.37 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.88 -26.65 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -97.09 -112.17 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 159' ' ' GLY . 1.5 pp -126.29 -37.54 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.558 ' N ' HD12 ' A' ' 158' ' ' LEU . . . 157.95 -94.65 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.434 ' HD2' HD12 ' A' ' 158' ' ' LEU . 53.7 Cg_endo -69.73 -48.9 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.496 ' HB2' HD11 ' A' ' 158' ' ' LEU . 48.8 m-85 -88.07 116.41 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.8 p -161.83 122.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.643 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 49.5 m -82.93 128.67 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 53.1 mt -141.36 120.27 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.15 117.82 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.95 155.2 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 150.75 6.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.98 45.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.79 135.58 45.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.9 p -58.76 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.592 HD22 ' CE1' ' A' ' 104' ' ' HIS . 18.8 mt 50.03 38.67 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.4 p -83.83 22.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.48 -8.51 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -174.64 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -115.64 169.87 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -101.94 137.91 39.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.607 ' C ' HD23 ' A' ' 171' ' ' LEU . 35.4 m -143.64 -171.37 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.426 ' CE1' HD22 ' A' ' 171' ' ' LEU . 19.5 m-70 -95.39 131.06 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.88 48.16 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.0 t -81.33 163.63 22.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.4 m -74.29 -57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.665 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.9 89.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -151.88 76.09 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.489 ' N ' HD22 ' A' ' 139' ' ' LEU . . . 84.56 30.85 26.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.71 80.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.8 p -55.4 177.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 p -134.95 157.98 45.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -171.32 83.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.11 108.91 1.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -135.97 151.74 50.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -74.66 131.31 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -79.94 168.31 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.96 147.97 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.14 -30.22 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.04 -40.02 16.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 m -49.39 128.15 16.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.446 HG23 ' CD2' ' A' ' 124' ' ' HIS . 11.0 t -124.79 -8.18 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.446 ' CD2' HG23 ' A' ' 123' ' ' THR . 41.9 m-70 -135.92 162.93 31.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.77 155.16 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.506 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.5 t -136.64 140.8 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.797 HG23 ' HD3' ' A' ' 144' ' ' LYS . 5.2 m -127.9 118.34 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 1.012 HG21 HD13 ' A' ' 156' ' ' LEU . 33.9 p -119.69 107.34 13.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -103.54 97.74 7.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.0 t -107.93 141.75 39.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -63.79 177.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 132' ' ' VAL . 2.5 p -141.66 108.31 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.94 -24.46 67.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 m -62.63 121.35 13.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -64.6 -14.41 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.9 p -64.28 -15.29 59.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -134.18 123.8 24.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -82.49 -34.21 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 110' ' ' GLY . 0.4 OUTLIER -95.71 158.75 33.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 164.65 33.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.665 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.5 tt -102.69 101.47 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -87.86 97.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 49.9 m -84.63 106.27 16.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.797 ' HD3' HG23 ' A' ' 127' ' ' THR . 9.0 mmtp -90.26 129.84 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.8 ttp -157.92 150.3 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -93.58 155.9 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -158.34 172.0 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 148' ' ' ILE . 14.1 mm -93.21 55.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 142.0 -109.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 51.8 t -165.29 85.55 1.04 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.4 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.26 . . . . 0.0 112.396 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -108.8 10.81 26.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 90.3 mt -41.73 103.64 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -9.42 26.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 38.1 t -65.76 -17.24 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 1.012 HD13 HG21 ' A' ' 128' ' ' THR . 10.8 mt -65.14 -27.66 68.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -137.8 -126.36 2.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 158' ' ' LEU . 2.3 mm? -92.54 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 153.32 -69.43 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.91 13.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -123.13 95.39 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 67.5 t -150.05 139.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 t -98.79 137.82 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.1 mt -141.6 129.35 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -139.46 109.57 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.506 ' SG ' HG13 ' A' ' 126' ' ' VAL . 4.7 m -110.19 160.84 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.82 148.31 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -91.1 45.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 137.87 48.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.5 p -60.11 133.65 56.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.1 mt 51.02 36.47 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.76 22.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -102.19 -3.82 26.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -63.9 -173.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.78 -171.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -110.23 132.14 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.593 ' HA ' HD23 ' A' ' 171' ' ' LEU . 41.2 m -143.42 -174.24 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -86.2 132.24 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.47 25.36 9.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -85.01 168.46 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -96.78 24.6 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' HA3' ' HB ' ' A' ' 142' ' ' VAL . . . 66.95 -98.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.11 21.0 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.53 ' HA2' HD13 ' A' ' 139' ' ' LEU . . . 126.46 31.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.23 49.46 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 3.4 t -54.51 138.93 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 p -106.5 137.26 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.72 91.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.76 109.51 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -122.01 170.22 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -75.54 131.85 40.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.34 -175.62 5.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.38 147.48 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -50.05 -37.21 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.7 p30 -85.19 -31.9 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -72.14 120.1 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.45 15.94 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -146.12 163.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.42 139.3 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 128' ' ' THR . 64.3 t -116.11 110.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.68 92.6 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 126' ' ' VAL . 31.6 p -92.7 110.81 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -119.73 109.84 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.923 HG22 HG23 ' A' ' 162' ' ' VAL . 71.9 p -117.5 135.48 53.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -75.2 151.71 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.54 HG23 ' OE1' ' A' ' 137' ' ' GLU . 0.1 OUTLIER -139.85 98.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tp -64.48 122.72 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.58 144.99 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.93 -17.74 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.6 p -147.98 72.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.54 ' OE1' HG23 ' A' ' 132' ' ' VAL . 4.1 tt0 -125.09 138.01 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -95.75 -29.07 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.53 HD13 ' HA2' ' A' ' 110' ' ' GLY . 2.4 pp -156.06 156.32 30.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -177.31 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 142' ' ' VAL . 3.4 tm? -96.6 137.7 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.555 ' N ' HD13 ' A' ' 141' ' ' LEU . 75.8 t -132.84 147.58 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.7 m -146.07 116.91 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 115.77 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 ttp -137.38 153.21 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.76 156.14 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -165.39 171.58 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 148' ' ' ILE . 3.2 mp -92.03 51.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.92 -119.92 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.8 t -165.26 76.25 1.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.5 45.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.96 112.06 24.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.53 ' HB ' HD21 ' A' ' 156' ' ' LEU . 21.5 mt -143.42 84.34 10.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.672 ' HB3' HG11 ' A' ' 162' ' ' VAL . 53.7 Cg_endo -69.78 -4.63 14.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 39.6 m -58.8 -26.86 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.53 HD21 ' HB ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -97.35 31.59 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.613 ' CA ' HG21 ' A' ' 130' ' ' THR . . . -145.08 -125.28 1.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 160' ' ' PRO . 2.3 tt -114.44 -12.41 12.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 113.96 -98.02 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 158' ' ' LEU . 53.9 Cg_endo -69.75 -42.94 2.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.559 ' HB3' HD22 ' A' ' 158' ' ' LEU . 14.9 t80 -96.78 93.63 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.923 HG23 HG22 ' A' ' 130' ' ' THR . 4.1 p -147.61 119.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.3 t -96.87 144.06 27.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 34.7 mt -145.44 113.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -108.15 102.52 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 28.3 m -102.89 152.27 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 151.82 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.94 44.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.21 134.56 45.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.7 p -56.74 133.45 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 103' ' ' CYS . 23.5 mt 47.85 41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.67 21.65 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -109.2 -7.56 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -174.8 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 123' ' ' THR . 39.9 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.64 -178.33 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -98.18 135.34 39.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.567 ' C ' HD23 ' A' ' 171' ' ' LEU . 36.6 m -146.0 -176.76 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -95.87 130.95 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -126.6 38.48 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.58 155.78 25.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 107' ' ' THR . 9.8 m -73.67 -5.89 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.53 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -139.9 45.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.95 2.83 18.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.46 30.44 2.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 30.1 p -56.96 -178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -145.98 136.71 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.98 102.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.56 125.56 7.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.2 t -137.72 162.81 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -75.86 135.51 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.4 m -90.69 162.74 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.48 145.88 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -51.62 -33.01 31.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' HD11 ' A' ' 148' ' ' ILE . 10.8 m-20 -73.6 -42.3 61.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -71.08 116.29 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 100' ' ' MET . 3.1 m -122.26 27.44 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -144.12 157.51 44.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.0 m -106.71 133.06 51.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.93 145.31 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -141.06 111.28 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.7 p -109.3 168.41 9.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.51 114.82 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.562 HG21 ' O ' ' A' ' 156' ' ' LEU . 21.3 p -102.23 -177.44 3.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -113.83 -77.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.99 93.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 156' ' ' LEU . 48.7 tp -96.84 -81.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 t -98.52 -39.22 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.01 -38.21 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 10.2 p 50.46 32.78 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.94 -176.13 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.59 -34.67 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.5 OUTLIER -96.14 158.18 34.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -176.41 1.49 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.0 107.22 7.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 143' ' ' THR . 93.5 t -83.82 155.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.5 m -156.43 120.13 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 144.17 43.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.6 ptp -160.98 -170.75 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.71 159.45 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.13 174.01 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 121' ' ' ASP . 3.8 mt -90.95 38.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 158.02 -109.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 46.5 t -165.32 77.26 1.33 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.659 0.743 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.54 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.508 ' O ' HD13 ' A' ' 153' ' ' ILE . 5.7 t0 -134.26 140.85 46.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 152' ' ' ASP . 24.8 mm -137.07 75.67 47.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.565 ' HA ' HD23 ' A' ' 158' ' ' LEU . 53.8 Cg_endo -69.77 -13.25 34.39 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 31.4 t -72.81 -8.64 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.727 ' C ' HD22 ' A' ' 133' ' ' LEU . 15.3 mt -82.34 0.65 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.41 ' CA ' HD13 ' A' ' 133' ' ' LEU . . . 85.87 93.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.415 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 154' ' ' PRO . 4.5 pp -112.05 -14.87 13.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 42.76 -102.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -46.97 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.328 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -158.55 146.45 18.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.407 ' HB ' HD22 ' A' ' 158' ' ' LEU . 5.7 p -93.93 140.57 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.2 m -100.77 111.68 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 35.8 mm -128.14 147.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.687 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -135.48 103.71 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.51 124.24 46.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 140.03 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.42 47.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 136.09 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 18.5 m -61.43 132.18 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.567 HD23 ' C ' ' A' ' 103' ' ' CYS . 64.9 mt 54.43 35.81 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.4 p -80.86 20.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -20.49 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -85.54 -178.46 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.764 ' N ' HG23 ' A' ' 123' ' ' THR . 2.9 tpt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.39 -177.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -109.26 134.2 52.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.507 ' C ' HD23 ' A' ' 171' ' ' LEU . 30.6 m -144.29 -179.8 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 171' ' ' LEU . 12.8 m-70 -89.9 135.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -129.58 27.21 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.24 168.15 17.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.2 m -74.55 -52.69 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.96 -104.64 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 59.52 48.9 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.15 -17.92 26.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.68 42.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -53.62 142.73 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -108.21 148.2 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -174.76 73.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.478 ' CA ' HD21 ' A' ' 171' ' ' LEU . . . -72.15 101.51 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 177.65 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 141.45 41.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.2 m -97.33 168.86 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 148.35 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -49.95 -45.1 50.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.56 -40.05 94.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.7 p -79.39 99.25 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.764 HG23 ' N ' ' A' ' 100' ' ' MET . 3.7 m -105.4 15.18 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -132.36 176.96 7.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.4 m -119.27 142.08 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.517 HG21 ' HB2' ' A' ' 147' ' ' HIS . 2.1 t -130.0 147.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 173' ' ' ASN . 1.9 m -136.69 142.32 43.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.3 p -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -118.07 141.93 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.93 120.1 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -77.51 -7.04 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 139' ' ' LEU . 12.1 t 65.42 50.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.3 pt? -67.61 -23.7 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -81.04 -6.11 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.2 t30 61.97 19.47 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.7 p -78.73 -1.2 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -143.09 165.18 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -95.88 -14.03 23.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.461 ' O ' HG21 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -143.99 160.15 50.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.419 ' HA ' HG23 ' A' ' 132' ' ' VAL . 53.2 Cg_endo -69.8 132.22 22.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -89.16 140.28 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 141' ' ' LEU . 99.8 t -139.04 92.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.8 m -96.66 126.49 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 151.11 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 -164.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.33 166.86 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.517 ' HB2' HG21 ' A' ' 126' ' ' VAL . 6.6 t60 -165.99 175.55 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 148' ' ' ILE . 2.1 mt -83.46 19.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 110.69 100.06 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 151' ' ' PRO . 4.6 t 49.22 96.79 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.482 ' HG3' HG11 ' A' ' 126' ' ' VAL . 53.6 Cg_endo -69.82 152.66 69.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.48 12.86 34.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 47.5 mt -111.73 73.34 1.14 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.631 ' HA ' HD11 ' A' ' 164' ' ' ILE . 53.6 Cg_endo -69.79 -10.15 27.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.6 m -68.99 -12.66 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.37 -10.37 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -64.86 -110.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.44 HD23 ' HD2' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -109.65 -34.33 6.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -177.61 -83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.44 ' HD2' HD23 ' A' ' 158' ' ' LEU . 53.7 Cg_endo -69.74 -49.45 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -162.61 -179.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.6 p -170.06 155.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.168 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -74.83 103.83 5.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 154' ' ' PRO . 44.7 mt -100.65 148.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -124.26 113.83 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.36 108.72 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.04 135.71 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.22 46.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.81 134.69 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 5.4 p -57.35 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 104' ' ' HIS . 30.7 mt 51.13 44.23 28.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.02 20.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.508 ' HB3' HG23 ' A' ' 127' ' ' THR . 0.6 OUTLIER -112.07 0.02 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -174.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.3 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.07 166.92 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -96.06 137.52 35.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.536 ' C ' HD23 ' A' ' 171' ' ' LEU . 84.0 m -146.39 -177.28 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CE1' HD22 ' A' ' 171' ' ' LEU . 97.2 m-70 -96.65 119.27 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -113.65 43.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.62 158.93 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -57.98 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.746 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 137.05 93.13 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -152.54 80.64 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.63 27.22 47.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.548 ' HA2' HG21 ' A' ' 142' ' ' VAL . . . 73.47 39.77 49.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.2 -177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 p -147.52 159.04 44.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -174.93 78.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.59 103.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.2 175.07 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 145.52 37.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.94 177.05 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.45 142.93 46.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -48.94 -32.44 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.69 -42.26 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.6 p -79.93 119.41 22.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.6 m -117.22 19.58 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -140.98 178.07 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.42 145.99 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.9 t -124.06 122.25 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.745 HG23 ' HG2' ' A' ' 144' ' ' LYS . 1.8 m -110.94 120.99 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.4 p -129.04 129.44 45.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.89 127.78 53.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.475 HG22 HG22 ' A' ' 162' ' ' VAL . 0.8 OUTLIER -127.97 170.11 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -134.77 -175.61 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.26 106.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -12.38 60.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -58.76 146.06 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -60.87 -55.46 32.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 136' ' ' THR . 6.6 t -63.91 122.78 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 50.66 83.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -89.01 5.67 43.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.9 OUTLIER -63.58 156.76 69.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.03 15.19 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.707 2.271 . . . . 0.0 112.378 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.746 HD23 ' HA3' ' A' ' 108' ' ' GLY . 1.4 tt -133.57 99.16 4.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.548 HG21 ' HA2' ' A' ' 111' ' ' GLY . 39.3 t -83.79 100.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.37 104.33 16.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.745 ' HG2' HG23 ' A' ' 127' ' ' THR . 15.3 mtmt -112.16 146.83 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 ptp -163.27 -167.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.64 153.73 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -159.92 170.09 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.03 43.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 152.1 -114.09 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.429 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 35.1 t -157.59 85.07 2.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.59 63.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.9 -56.28 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.565 HG21 HD23 ' A' ' 156' ' ' LEU . 41.0 mm 49.05 78.17 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -31.0 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.659 ' O ' HG11 ' A' ' 162' ' ' VAL . 3.4 pp -96.99 7.32 46.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.521 ' HA2' HG21 ' A' ' 162' ' ' VAL . . . 177.24 118.47 0.55 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 159' ' ' GLY . 0.6 OUTLIER -117.68 -24.57 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 158' ' ' LEU . . . -122.3 -164.88 12.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -74.6 -5.02 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 156' ' ' LEU . 21.9 t -139.76 133.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.25 133.04 52.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.04 130.68 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 9.5 m -101.56 161.18 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.17 142.73 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -89.78 36.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.47 139.8 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 15.5 p -60.99 134.36 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 104' ' ' HIS . 62.0 mt 50.16 36.1 11.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 16.3 p -80.65 21.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -21.49 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -143.11 149.97 38.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pt -99.57 177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -98.99 133.71 42.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.603 ' HA ' HD23 ' A' ' 171' ' ' LEU . 59.8 m -146.22 -170.54 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -96.05 126.46 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -122.93 39.12 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.36 131.67 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -105.49 8.21 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.77 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -145.86 -172.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.556 ' HA3' HD13 ' A' ' 139' ' ' LEU . . . 49.67 29.94 13.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.78 26.23 38.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.1 t -46.21 139.4 4.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -133.89 160.2 38.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -174.55 95.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.33 110.71 1.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.56 140.46 35.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 151.66 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.03 159.57 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.01 146.54 32.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -49.98 -31.78 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.41 -43.76 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -72.38 120.16 17.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.606 HG23 ' CD2' ' A' ' 124' ' ' HIS . 11.9 t -116.38 -0.93 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.606 ' CD2' HG23 ' A' ' 123' ' ' THR . 23.7 m170 -131.68 167.11 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 m -110.01 149.66 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 166' ' ' CYS . 98.8 t -130.32 128.31 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.612 HG23 ' CG ' ' A' ' 144' ' ' LYS . 1.3 m -113.96 116.59 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.7 p -115.25 142.47 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.18 113.13 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.506 ' HA ' HG22 ' A' ' 162' ' ' VAL . 2.8 t -121.63 139.27 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -71.52 159.25 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.54 93.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.3 pt? -64.01 -20.58 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 67.8 m -63.97 -15.94 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.9 m120 55.45 22.46 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.3 t -66.98 -20.33 65.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.26 -174.09 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -95.57 -53.71 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.556 HD13 ' HA3' ' A' ' 110' ' ' GLY . 16.7 mt -83.05 154.71 67.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 168.26 22.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.421 ' HB3' HG23 ' A' ' 130' ' ' THR . 0.3 OUTLIER -84.45 123.07 29.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.563 HG12 ' HE2' ' A' ' 144' ' ' LYS . 21.6 t -120.77 116.67 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 83.5 m -120.54 117.66 28.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.612 ' CG ' HG23 ' A' ' 127' ' ' THR . 10.3 mtmt -109.01 149.0 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.81 -163.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.9 m -134.15 147.95 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -165.94 171.95 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 148' ' ' ILE . 4.2 mp -88.77 61.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 118.44 175.91 16.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 3.7 t -108.61 83.2 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 170.81 15.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.23 116.17 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 40.5 mm -124.13 74.25 58.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.0 t -69.01 -28.14 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.07 -1.86 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -179.08 121.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -116.98 -3.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.538 ' N ' HD22 ' A' ' 158' ' ' LEU . . . -137.9 -171.87 12.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.94 13.05 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 162' ' ' VAL . 1.5 p90 -80.67 3.25 22.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 130' ' ' THR . 54.6 t -140.87 128.96 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 53.6 p -119.55 153.08 35.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.7 131.34 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -137.24 114.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 126' ' ' VAL . 37.0 m -115.75 164.74 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.37 151.66 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.98 37.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.46 136.97 54.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.3 p -59.34 134.15 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 103' ' ' CYS . 65.7 mt 48.27 38.38 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.89 21.74 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -103.89 2.75 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -63.05 134.1 55.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.524 ' N ' HG23 ' A' ' 123' ' ' THR . 4.2 ptp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.1 pt -139.13 176.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -93.93 138.29 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.663 ' CA ' HD23 ' A' ' 171' ' ' LEU . 72.5 m -146.83 167.42 23.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.709 ' CE1' HD22 ' A' ' 171' ' ' LEU . 75.7 m-70 -91.43 94.53 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -87.52 73.97 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.34 153.16 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -74.22 -64.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.61 68.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -153.34 101.81 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.35 33.65 32.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.59 47.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.7 p -56.08 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 p -115.17 161.73 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.73 86.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.4 100.48 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 m -126.37 147.91 49.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -73.28 124.83 26.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 99.2 m -74.86 167.48 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 119' ' ' LEU . 0.7 OUTLIER -60.27 142.34 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -50.73 -34.93 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 148' ' ' ILE . 4.3 m-20 -84.97 -32.83 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -78.74 123.26 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -119.89 17.01 12.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -140.19 158.85 43.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.57 152.0 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.589 HG13 ' SG ' ' A' ' 166' ' ' CYS . 10.9 t -135.84 157.0 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.624 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 73.7 m -135.22 139.75 44.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.925 HG21 HD22 ' A' ' 156' ' ' LEU . 46.4 p -131.99 106.26 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -99.91 113.78 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 13.3 p -140.97 178.75 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -123.55 -177.96 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 135' ' ' ASN . 7.6 p -166.1 120.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 134' ' ' SER . 7.4 tt -96.26 155.21 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.641 ' N ' HD23 ' A' ' 133' ' ' LEU . 2.0 t 73.97 1.74 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.452 ' HB2' HG22 ' A' ' 132' ' ' VAL . 15.4 t-20 -94.33 18.0 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' ASN . 6.9 t 37.0 49.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -124.1 145.66 49.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.69 -75.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 139' ' ' LEU . 4.0 pp -64.82 154.6 85.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 168.93 20.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -95.68 137.8 34.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.685 ' N ' HD13 ' A' ' 141' ' ' LEU . 92.4 t -142.9 90.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 46.3 m -86.17 141.86 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.528 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.1 mmtp -127.01 150.74 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.73 -172.89 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 13.3 m -125.69 151.13 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -155.0 173.32 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 121' ' ' ASP . 8.5 mt -90.9 46.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.44 -112.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 82.85 1.87 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.365 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.595 ' HA ' HD13 ' A' ' 164' ' ' ILE . 1.1 m-20 -107.24 13.82 26.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 71.1 mt -39.44 102.84 0.26 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.447 ' HB2' HD23 ' A' ' 158' ' ' LEU . 54.1 Cg_endo -69.8 -5.41 16.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.5 m -67.13 -10.77 53.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.925 HD22 HG21 ' A' ' 128' ' ' THR . 5.4 mp -88.85 17.84 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 94.55 78.67 1.42 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 159' ' ' GLY . 3.9 pp -75.02 -41.95 58.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.37 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.678 ' O ' HD12 ' A' ' 158' ' ' LEU . . . 46.36 -162.64 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -166.75 102.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.6 p -87.27 139.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.28 112.02 20.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 152' ' ' ASP . 60.4 mt -119.6 113.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -114.62 102.71 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.589 ' SG ' HG13 ' A' ' 126' ' ' VAL . 8.1 m -109.37 157.92 18.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.75 143.26 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -89.97 47.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.07 137.28 42.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.8 p -59.23 133.78 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.709 HD22 ' CE1' ' A' ' 104' ' ' HIS . 22.8 mt 50.23 38.45 17.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -81.5 21.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -16.33 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -174.65 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.3 pt -115.13 179.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -105.53 134.82 48.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.564 ' C ' HD23 ' A' ' 171' ' ' LEU . 59.7 m -146.23 -175.43 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.637 ' CE1' HD22 ' A' ' 171' ' ' LEU . 16.1 m-70 -93.66 129.68 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -124.11 39.48 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.7 160.05 21.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 107' ' ' THR . 11.7 m -74.12 -6.5 48.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.32 126.36 0.11 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -160.47 43.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.776 ' HA3' HD13 ' A' ' 139' ' ' LEU . . . 96.63 35.03 5.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.71 30.69 4.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.4 t -51.27 160.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 p -140.38 137.03 33.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -174.74 82.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.07 106.64 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.433 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.6 t -124.2 170.14 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.02 144.13 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.7 156.93 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 141.37 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -29.38 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.4 -39.12 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -75.17 112.33 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.28 24.89 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -148.16 171.94 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.9 m -124.26 149.75 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 166' ' ' CYS . 21.4 t -127.89 135.53 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 m -131.12 94.7 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -107.37 175.98 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.69 138.04 24.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.635 ' OG1' HD12 ' A' ' 141' ' ' LEU . 10.7 p -120.35 176.31 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.717 ' HD3' HD13 ' A' ' 158' ' ' LEU . 2.5 tpt85 -51.5 161.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 140' ' ' PRO . 5.5 t -74.83 65.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.83 -22.98 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 t -71.29 -9.4 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 65.58 14.26 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.52 ' O ' HG11 ' A' ' 132' ' ' VAL . 12.7 t -84.02 133.56 34.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -92.34 17.23 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.567 ' HB2' HD12 ' A' ' 139' ' ' LEU . 1.9 m-20 -96.51 -59.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.776 HD13 ' HA3' ' A' ' 110' ' ' GLY . 0.4 OUTLIER -145.23 159.85 47.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.601 ' HA ' HG22 ' A' ' 132' ' ' VAL . 54.3 Cg_endo -69.74 -174.51 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.635 HD12 ' OG1' ' A' ' 130' ' ' THR . 3.2 tm? -90.81 136.33 33.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 141' ' ' LEU . 2.6 t -122.84 162.69 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 142' ' ' VAL . 35.1 m -151.71 109.07 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -104.2 137.87 41.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.8 -174.74 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.09 157.33 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -165.63 171.09 13.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.6 41.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 151.89 -117.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 52.4 t -165.84 75.6 1.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -176.65 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.44 110.8 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.42 75.1 69.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -14.58 36.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 58.3 p -70.58 -12.65 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.45 -21.36 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -142.2 -122.76 1.8 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.717 HD13 ' HD3' ' A' ' 131' ' ' ARG . 1.3 tp -73.82 -66.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.515 ' O ' HG13 ' A' ' 162' ' ' VAL . . . -171.82 -151.82 8.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.72 21.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -74.72 -14.0 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 159' ' ' GLY . 30.7 m -58.44 -176.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -120.1 136.83 54.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.4 mp -125.98 136.95 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.11 101.3 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 126' ' ' VAL . 11.1 m -111.37 167.28 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -171.01 152.32 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -91.75 49.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.31 136.86 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 12.4 p -59.85 134.29 56.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.637 HD22 ' CE1' ' A' ' 104' ' ' HIS . 36.4 mt 50.89 36.44 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 15.2 p -83.1 22.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.05 -11.18 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -173.74 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.556 ' HB3' HG23 ' A' ' 123' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.306 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 pt -90.89 174.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -101.03 137.67 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.613 ' HA ' HD23 ' A' ' 171' ' ' LEU . 39.3 m -145.96 -178.71 6.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.6 m-70 -95.96 115.96 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -108.63 58.83 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.82 151.63 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -85.68 -23.67 27.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' A' ' 141' ' ' LEU . . . 143.41 -153.29 24.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 68.5 74.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.494 ' CA ' HD13 ' A' ' 139' ' ' LEU . . . 69.05 22.53 75.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.17 67.53 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.61 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -126.08 137.6 53.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -170.73 95.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 104.55 1.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -116.34 156.83 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -74.96 122.86 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 78.1 m -78.4 166.21 22.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.62 142.9 32.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -47.85 -36.34 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -85.51 -34.69 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -71.1 95.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 100' ' ' MET . 0.2 OUTLIER -102.07 20.67 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -142.21 157.05 45.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.69 157.43 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.558 HG21 ' HD2' ' A' ' 151' ' ' PRO . 95.9 t -137.08 139.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 m -124.22 108.28 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.3 p -113.52 170.64 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 163' ' ' SER . . . -145.09 118.79 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.468 HG22 ' HA2' ' A' ' 157' ' ' GLY . 1.0 OUTLIER -105.22 150.07 25.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -103.95 146.31 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 134' ' ' SER . 14.6 t -148.13 115.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.73 -20.16 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.547 ' H ' HG12 ' A' ' 132' ' ' VAL . 20.7 m -88.68 -23.66 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.404 ' ND2' HG11 ' A' ' 132' ' ' VAL . 4.4 m-20 -105.66 21.22 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.83 81.68 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.37 -86.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.12 -44.25 6.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.494 HD13 ' CA ' ' A' ' 110' ' ' GLY . 2.8 mt -142.84 155.08 62.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 54.0 Cg_endo -69.79 -168.46 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' HA3' ' A' ' 108' ' ' GLY . 0.6 OUTLIER -100.24 105.87 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 143' ' ' THR . 22.6 t -84.31 157.71 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 142' ' ' VAL . 51.7 m -155.56 118.48 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.22 156.13 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.43 -168.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 10.0 m -135.12 154.8 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -166.36 174.59 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.565 ' H ' HD12 ' A' ' 148' ' ' ILE . 2.7 mp -91.82 42.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 163.87 -111.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 50.5 t -155.54 78.15 4.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.558 ' HD2' HG21 ' A' ' 126' ' ' VAL . 54.0 Cg_endo -69.76 76.58 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -49.03 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 88.1 mt 49.01 80.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.21 23.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.8 t -70.27 -23.34 62.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 156' ' ' LEU . 3.0 pp -70.36 -19.7 63.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.468 ' HA2' HG22 ' A' ' 130' ' ' THR . . . -107.51 -113.62 3.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 159' ' ' GLY . 0.3 OUTLIER -129.66 -45.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.886 0.374 . . . . 0.0 110.929 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.632 ' N ' HD23 ' A' ' 158' ' ' LEU . . . -158.39 -159.6 9.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.88 37.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -76.8 -8.29 57.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.32 135.25 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 64.4 m -81.16 123.95 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.5 mt -142.86 143.6 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.24 117.36 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.059 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.63 149.44 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.06 148.24 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.34 45.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.6 p -62.06 135.41 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 103' ' ' CYS . 54.1 mt 49.84 34.87 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.45 21.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -97.99 2.6 49.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -61.82 -178.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.412 ' N ' HG23 ' A' ' 123' ' ' THR . 29.5 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.711 0.291 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.54 159.38 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -86.28 139.13 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.543 ' C ' HD23 ' A' ' 171' ' ' LEU . 61.5 m -144.76 170.47 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.561 ' CD2' HD22 ' A' ' 171' ' ' LEU . 88.8 m-70 -93.54 121.73 35.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.05 58.73 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -80.72 146.2 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -74.53 -46.19 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.77 -139.2 7.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 65.86 60.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.56 -17.69 58.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.36 51.41 1.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 12.5 p -56.56 -178.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 61.7 p -125.27 149.71 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -171.63 91.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.1 113.26 4.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 p -133.78 145.03 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -75.63 133.16 40.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.82 177.57 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 154.63 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -49.43 -35.71 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.724 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -67.72 -46.94 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.2 134.41 46.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 123' ' ' THR . 3.6 m -136.12 7.39 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -131.77 151.96 51.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.1 m -97.98 127.56 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.527 HG13 ' SG ' ' A' ' 150' ' ' CYS . 25.0 t -115.2 145.71 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 40.2 m -141.75 133.72 27.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.0 p -144.73 166.24 25.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 141' ' ' LEU . . . -172.28 179.68 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.8 p -141.16 107.8 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -60.4 154.61 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.5 t -149.47 112.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.32 -25.16 68.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -63.3 122.85 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -88.69 15.28 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.556 HG22 ' H ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -64.07 176.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.556 ' H ' HG22 ' A' ' 136' ' ' THR . 2.5 pp20? -74.44 -4.43 36.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.93 -39.85 95.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 140' ' ' PRO . 5.1 mt 62.93 154.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 139' ' ' LEU . 53.2 Cg_endo -69.75 165.17 31.86 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.701 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -100.85 144.25 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.701 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -142.19 106.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.7 m -110.47 128.19 55.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -131.73 147.0 52.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 -162.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.68 163.33 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -165.82 163.23 18.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 121' ' ' ASP . 4.5 mt -93.0 54.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 144.22 -15.26 2.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 126' ' ' VAL . 47.5 t 51.1 82.79 0.24 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.6 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -92.48 -56.26 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.596 HG22 HD23 ' A' ' 156' ' ' LEU . 56.9 mt 48.66 80.63 0.29 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 111.158 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -7.65 21.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.5 t -68.41 -19.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 153' ' ' ILE . 0.5 OUTLIER -68.67 -11.95 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.507 ' C ' HD13 ' A' ' 158' ' ' LEU . . . -122.98 -130.45 3.66 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 157' ' ' GLY . 0.3 OUTLIER -107.8 -67.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -119.55 -86.44 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -54.59 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -169.2 -171.28 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 163' ' ' SER . 2.7 p -157.42 -48.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 162' ' ' VAL . 0.9 OUTLIER -168.55 110.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 37.6 mt -140.58 148.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.736 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -150.05 106.25 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 80.2 m -103.15 130.03 50.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.82 135.71 8.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -90.28 45.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.46 136.89 54.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.3 p -54.89 122.05 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 104' ' ' HIS . 29.5 mt 54.6 49.1 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 7.9 p -81.09 19.1 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -17.2 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -175.46 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 pt -134.63 174.97 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -101.49 136.7 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.594 ' C ' HD23 ' A' ' 171' ' ' LEU . 51.0 m -145.92 -170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.41 139.01 32.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -138.72 29.05 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.55 163.29 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -73.83 170.85 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 107' ' ' THR . . . -100.7 126.06 8.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -164.4 26.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.74 -4.25 7.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.39 46.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 10.4 t -52.11 157.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 p -134.5 133.05 39.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -174.67 102.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.81 114.08 3.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 t -127.37 166.51 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -75.67 136.6 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.22 162.14 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 148.44 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -30.82 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -38.69 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 p -114.9 -4.25 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.1 178.07 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.6 m -122.19 148.91 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.78 134.91 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.718 HG23 ' HD3' ' A' ' 144' ' ' LYS . 9.7 m -123.41 113.26 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.8 p -102.37 130.94 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 162' ' ' VAL . . . -129.14 101.42 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.8 100.96 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -95.33 124.76 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.52 95.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.32 -26.54 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 71.7 m -73.43 -13.05 61.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.48 -10.67 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.9 p 50.0 32.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -177.99 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -40.67 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 pp -144.88 154.45 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.34 27.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.6 OUTLIER -92.44 153.41 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.75 ' N ' HD13 ' A' ' 141' ' ' LEU . 5.3 t -145.22 160.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 142' ' ' VAL . 4.4 m -156.94 111.87 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.718 ' HD3' HG23 ' A' ' 127' ' ' THR . 10.2 mmtp -95.09 140.97 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -174.16 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.04 153.3 48.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.01 167.33 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 148' ' ' ILE . 39.2 mt -84.23 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 126.43 -117.18 2.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 2.7 t -166.62 81.53 0.98 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 146.77 60.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.17 120.37 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 56.6 mt -126.62 75.62 74.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.01 37.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.3 m -66.19 -17.08 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.68 -29.35 33.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.663 ' O ' HG12 ' A' ' 162' ' ' VAL . . . 161.32 89.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.538 ' C ' HD13 ' A' ' 158' ' ' LEU . 2.4 tm? -93.45 -37.39 11.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -50.37 -68.74 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.15 20.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.0 t80 64.64 82.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 129' ' ' ALA . 7.4 p -76.49 130.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.0 t -82.75 140.2 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 123.36 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -93.8 92.88 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.58 130.62 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 143.88 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.413 ' H ' ' HG3' ' A' ' 168' ' ' GLN . 3.5 pp0? -91.44 44.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.32 137.91 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.4 p -59.11 134.48 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.594 HD23 ' C ' ' A' ' 103' ' ' CYS . 32.2 mt 49.22 38.96 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.35 21.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -104.78 -10.53 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -70.36 -172.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.433 ' N ' HG22 ' A' ' 123' ' ' THR . 13.3 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -100.63 171.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -94.12 131.62 39.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.577 ' HA ' HD23 ' A' ' 171' ' ' LEU . 72.7 m -146.61 -175.26 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -95.23 132.15 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.85 34.77 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.38 159.75 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 85.3 m -74.62 -45.02 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.35 125.0 3.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -163.63 64.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.63 37.48 57.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 107.05 37.96 2.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.01 162.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 p -150.24 141.61 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -175.57 77.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.75 105.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 t -132.01 161.05 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -76.46 132.87 39.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.56 171.9 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.53 144.81 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -48.98 -32.45 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.649 ' HB3' HD11 ' A' ' 148' ' ' ILE . 3.0 m-20 -65.29 -49.9 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 m -76.46 111.45 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 100' ' ' MET . 5.9 p -116.58 0.41 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.53 146.45 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.66 135.45 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.725 HG22 ' SG ' ' A' ' 150' ' ' CYS . 87.7 t -123.51 147.62 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.783 ' HB ' ' HB3' ' A' ' 165' ' ' ALA . 2.5 m -140.39 130.5 24.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.588 HG21 HD21 ' A' ' 156' ' ' LEU . 18.8 p -130.57 147.88 52.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 130' ' ' THR . . . -146.28 128.45 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -163.04 153.78 16.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -109.92 145.62 36.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.61 98.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -174.56 131.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.409 ' H ' HD13 ' A' ' 133' ' ' LEU . 2.4 t -82.89 -56.84 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -85.11 -81.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -178.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -101.99 -46.92 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.451 ' HB2' HD23 ' A' ' 133' ' ' LEU . 17.4 t70 64.61 13.43 8.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mt 62.68 153.47 0.11 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.617 0.722 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 122.44 9.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 142' ' ' VAL . 0.4 OUTLIER -74.29 139.55 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.667 ' N ' HD13 ' A' ' 141' ' ' LEU . 26.3 t -134.5 103.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.7 m -98.12 129.12 44.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.518 ' HD2' HG12 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -118.65 141.18 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -165.72 179.36 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.0 m -117.36 168.44 10.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -166.17 165.8 17.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 121' ' ' ASP . 13.8 mt -91.27 62.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 140.44 -5.01 2.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.725 ' SG ' HG22 ' A' ' 126' ' ' VAL . 48.9 t 51.08 77.6 0.45 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -103.92 -26.16 12.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.463 HG21 HD23 ' A' ' 156' ' ' LEU . 59.5 mt 48.52 81.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.7 t -68.25 -36.24 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 128' ' ' THR . 4.4 pp -97.4 21.12 10.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -142.48 99.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 159' ' ' GLY . 4.0 pp -74.55 -39.58 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 158' ' ' LEU . . . -133.04 -162.15 10.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -91.76 19.49 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 164' ' ' ILE . 7.2 p -54.48 -38.09 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 38.2 m 58.1 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 162' ' ' VAL . 64.3 mt -134.11 139.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -122.37 115.74 22.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.12 129.49 55.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.68 141.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -91.33 41.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 140.92 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.38 133.57 55.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 103' ' ' CYS . 31.1 mt 50.82 36.13 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 10.9 p -83.76 20.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -104.0 -10.29 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -176.18 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.8 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.65 174.31 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -113.09 138.6 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.554 ' HA ' HD23 ' A' ' 171' ' ' LEU . 14.0 m -145.21 -175.13 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.662 ' CE1' HD22 ' A' ' 171' ' ' LEU . 17.2 m-70 -90.48 124.26 34.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -124.87 44.22 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.35 168.12 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -78.96 -47.93 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.85 -119.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 64.72 43.4 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.33 21.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.99 35.04 6.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 4.0 t -51.23 142.24 13.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -113.23 156.34 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -171.83 89.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.492 ' HA2' HD21 ' A' ' 171' ' ' LEU . . . -64.45 100.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.6 t -122.21 162.88 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 136.02 52.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.5 m -98.45 163.87 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 142.1 41.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -50.82 -39.97 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 148' ' ' ILE . 3.0 p30 -71.33 -38.51 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.1 p -74.12 114.5 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.51 16.23 16.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -139.14 168.17 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.64 150.22 44.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.569 HG13 ' SG ' ' A' ' 166' ' ' CYS . 9.1 t -138.25 154.36 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 144' ' ' LYS . 57.0 m -150.91 141.38 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.773 HG21 HD22 ' A' ' 156' ' ' LEU . 17.4 p -140.43 124.2 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' THR . . . -108.12 107.02 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.758 HG21 HG12 ' A' ' 162' ' ' VAL . 0.7 OUTLIER -163.81 177.24 8.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -151.35 -44.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 132' ' ' VAL . 5.2 t 43.27 40.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tp -156.11 -67.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.6 t 74.34 -0.63 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -91.26 -3.15 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 t -105.76 -35.28 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -159.55 -179.59 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -94.57 -32.68 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.77 152.73 41.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.23 32.46 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 142' ' ' VAL . 2.6 tm? -74.39 137.24 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.703 ' N ' HD13 ' A' ' 141' ' ' LEU . 93.0 t -125.03 100.98 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.8 m -96.94 125.8 41.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.465 ' HG2' HG23 ' A' ' 127' ' ' THR . 71.3 mttt -118.63 148.36 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -173.21 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.06 156.0 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -165.47 176.07 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' ' 121' ' ' ASP . 6.9 mt -90.1 45.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 131.83 -175.06 19.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.7 t -106.61 91.06 5.58 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -19.45 35.84 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.47 18.36 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 48.0 mm -37.6 101.87 0.23 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.719 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -7.06 20.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.8 t -62.28 -19.12 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.773 HD22 HG21 ' A' ' 128' ' ' THR . 3.7 mp -65.82 -14.09 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 175.14 -115.23 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 mt -91.64 -63.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 131.49 -76.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.87 24.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -107.5 -48.02 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.758 HG12 HG21 ' A' ' 130' ' ' THR . 19.9 m -51.6 151.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.9 m -111.87 107.56 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.773 HG23 HG22 ' A' ' 128' ' ' THR . 19.4 mt -107.18 143.01 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -129.04 112.33 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 126' ' ' VAL . 17.9 m -116.09 148.57 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.39 149.3 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -91.26 46.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.81 135.86 45.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.66 134.03 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 104' ' ' HIS . 47.4 mt 49.82 38.51 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.13 22.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -106.16 -11.88 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 129.85 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 18.3 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.07 178.17 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -107.78 136.41 47.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.608 ' C ' HD23 ' A' ' 171' ' ' LEU . 27.1 m -144.58 -172.51 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.608 ' CE1' HD22 ' A' ' 171' ' ' LEU . 20.0 m-70 -95.54 125.06 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.86 40.87 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.02 167.36 18.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -48.53 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.06 110.94 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.451 ' HA ' HD13 ' A' ' 139' ' ' LEU . 55.2 m-85 -157.18 85.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.21 47.22 55.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.17 50.17 3.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.62 164.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 p -147.43 131.38 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -174.45 85.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.08 109.7 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.7 m -126.0 161.99 26.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -75.58 126.12 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.55 166.39 18.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 140.35 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -33.52 22.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.563 ' HB2' HD11 ' A' ' 148' ' ' ILE . 4.1 p30 -80.12 -34.52 37.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -72.86 123.78 24.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 123' ' ' THR . 2.8 m -123.65 16.37 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -141.83 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.43 154.02 31.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.596 HG21 ' HD2' ' A' ' 151' ' ' PRO . 47.9 t -132.39 147.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.845 HG23 ' HG3' ' A' ' 144' ' ' LYS . 3.2 m -143.34 102.74 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 20.2 p -100.36 132.89 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -108.62 141.69 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.731 HG22 HG12 ' A' ' 162' ' ' VAL . 3.9 p -146.95 138.26 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.508 ' O ' HG13 ' A' ' 132' ' ' VAL . 62.2 mtt180 -109.19 150.04 28.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -160.55 112.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 133' ' ' LEU . 0.1 OUTLIER -63.8 126.62 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.6 m -162.29 141.78 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -61.59 -22.88 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.79 139.93 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 39.93 85.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.0 -6.31 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 139' ' ' LEU . 4.3 pp -64.19 144.83 98.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 146.05 59.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 142' ' ' VAL . 1.3 tm? -89.11 136.65 32.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.727 ' N ' HD13 ' A' ' 141' ' ' LEU . 61.7 t -143.38 98.7 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.3 m -88.12 124.63 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.845 ' HG3' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -113.27 143.68 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ptp -158.07 -168.71 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.64 151.43 50.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -165.8 172.95 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 121' ' ' ASP . 5.6 mt -92.12 43.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 166.23 -118.25 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.78 74.56 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.596 ' HD2' HG21 ' A' ' 126' ' ' VAL . 53.3 Cg_endo -69.8 81.34 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -48.19 -49.4 32.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.446 HG22 HD12 ' A' ' 156' ' ' LEU . 64.4 mt 49.42 84.19 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.479 ' HB3' HD23 ' A' ' 158' ' ' LEU . 54.0 Cg_endo -69.79 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.5 m -67.43 -13.52 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.446 HD12 HG22 ' A' ' 153' ' ' ILE . 2.2 mp -64.33 -15.53 60.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 151.38 -50.87 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 154' ' ' PRO . 0.2 OUTLIER 50.97 57.49 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.46 -84.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 54.83 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 7.8 t80 47.16 59.91 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.731 HG12 HG22 ' A' ' 130' ' ' THR . 14.0 m -50.3 135.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.6 m -113.93 131.08 56.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.9 mm -100.03 106.36 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.68 ' HB3' ' HB ' ' A' ' 127' ' ' THR . . . -89.68 95.62 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 95.8 m -107.6 136.41 47.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -151.67 146.38 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -91.58 46.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.73 137.12 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.2 t -58.77 133.78 56.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 103' ' ' CYS . 24.0 mt 50.05 38.99 18.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.22 22.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.68 -13.43 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -174.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.967 . . . . . . . . 0 0 . 1 stop_ save_