data_2rsd_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 2rsd _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 ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.19 85.1 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -120.88 109.48 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.91 107.44 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 91.63 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.8 t -110.84 157.22 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.2 pt -59.1 -22.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 p -83.41 -3.73 57.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.46 38.28 27.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -126.8 115.68 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.9 p -94.23 31.39 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 180.0 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.55 88.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.2 p-10 -70.48 -169.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -39.13 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.544 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.2 t -163.78 126.17 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.0 mtp -101.3 159.48 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.33 136.44 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -92.01 145.49 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.17 151.54 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.39 19.45 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -118.05 112.55 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.98 -24.02 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -86.25 6.09 31.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.09 -59.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 51.85 53.16 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 18.6 m -115.65 125.51 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -89.96 143.62 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -142.9 158.93 43.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -76.96 114.33 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -51.52 -42.2 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.25 -31.03 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.61 -34.1 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.61 14.16 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.76 94.91 5.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 163.59 37.64 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.41 2.1 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.2 t -105.97 125.76 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.18 126.89 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -121.95 121.26 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.4 p -56.07 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.02 -47.17 86.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.1 mt -51.38 -58.49 6.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 81.8 m -63.62 -40.09 96.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.89 0.376 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.35 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -118.4 109.44 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.5 107.99 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.5 91.62 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.6 157.23 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.6 pt -59.01 -21.98 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -83.43 -4.07 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.46 38.14 27.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -126.09 115.45 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.4 p -94.49 31.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.3 mtp -86.63 -179.56 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.23 87.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.1 p-10 -69.03 -169.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -38.2 77.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.595 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.9 t -163.93 125.34 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.76 159.55 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.18 134.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -87.62 144.1 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.62 150.53 27.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.6 20.78 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.76 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -91.6 13.61 17.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.92 -60.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 52.4 60.43 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.6 m -122.53 125.71 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -88.27 141.82 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -140.24 159.63 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -77.03 113.86 15.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.82 -41.83 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.45 -30.54 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.6 m -78.17 -34.19 49.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.3 m -99.55 14.15 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.74 94.87 5.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.47 38.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.24 2.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 p -105.65 125.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -116.33 140.55 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -133.76 124.98 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.57 -175.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.88 -46.66 88.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.65 -59.36 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 59.3 m -64.27 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.89 85.52 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -116.76 107.54 14.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.88 107.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 91.42 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.84 157.79 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.7 pt -58.79 -22.64 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.75 -4.13 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 p 53.92 37.63 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.62 115.99 19.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.8 p -94.29 31.41 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.02 179.7 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.49 77.77 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.52 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -59.86 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.61 -38.77 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.52 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.79 127.02 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.8 mtp -103.97 162.05 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.09 136.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -90.03 143.87 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.63 150.46 23.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 20.36 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -115.26 110.76 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -23.41 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 11.81 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.88 -61.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 52.66 62.41 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.59 124.6 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -87.42 145.68 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -145.89 154.46 41.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -71.51 113.86 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.5 -41.73 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.76 -31.36 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.13 -34.02 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.5 13.76 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.924 0.392 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.45 94.11 5.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 164.85 32.95 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.69 126.02 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -117.52 141.97 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -134.04 125.26 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.59 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.6 -46.94 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.38 -59.56 4.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.25 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.2 81.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -116.87 108.5 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.2 t -82.28 106.96 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.84 91.37 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.92 157.89 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.0 pt -59.05 -22.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.63 -3.05 57.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.37 38.05 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 115.49 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.3 p -94.36 31.88 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.48 179.29 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -91.43 77.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.5 p-10 -60.14 -169.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -39.35 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.548 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -164.76 126.18 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 26.8 mtp -103.2 160.69 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.15 138.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -91.73 145.62 24.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.91 152.86 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.06 16.85 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.3 117.23 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -22.32 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -87.23 8.59 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 -58.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 51.41 51.93 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.4 m -114.57 125.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -89.79 146.12 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -145.76 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -75.18 114.91 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.9 -42.08 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.85 -29.98 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.2 m -78.38 -35.2 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 17.3 m -97.16 11.76 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.2 t -101.57 98.35 9.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.02 36.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.46 2.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.66 128.96 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -111.05 138.09 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.46 121.92 22.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.21 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.53 -47.0 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.26 -59.09 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.5 m -66.12 -26.29 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.38 85.09 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -117.59 109.44 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.3 104.99 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.67 92.14 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.29 157.67 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 pt -59.07 -21.72 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.1 -2.88 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p 54.59 36.94 27.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 t -123.63 116.14 22.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.3 p -93.99 31.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 mtp -88.36 -179.56 6.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.8 87.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.8 p-10 -69.46 -169.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -38.41 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.587 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.79 125.61 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.83 160.68 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.5 tt -150.04 132.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.99 138.75 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -53.14 150.46 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.57 19.8 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -117.4 111.48 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.84 -22.62 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -88.86 10.13 22.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.75 -59.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.07 59.7 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.8 m -122.75 122.89 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.05 138.94 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.0 165.2 25.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -83.64 113.98 21.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.86 -41.35 70.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.01 -24.84 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.97 -32.12 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.93 14.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.6 t -102.25 96.63 7.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.375 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -44.33 2.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.616 2.21 . . . . 0.0 112.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.16 127.87 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -120.14 140.48 51.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.72 124.47 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.63 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.13 -46.73 87.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.09 -59.14 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.67 -36.92 85.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.82 83.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -112.81 107.76 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -80.99 108.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 91.67 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.88 156.58 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -59.39 -21.26 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -84.0 -4.13 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.6 p 52.8 39.23 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -125.93 115.12 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 30.3 p -94.54 31.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.22 179.93 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.1 88.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.0 p-10 -70.06 -168.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -38.72 86.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.544 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.15 126.52 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 17.2 mtp -101.47 162.63 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.16 137.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -89.94 146.41 24.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.18 151.97 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 17.44 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -115.65 113.01 22.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -23.84 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.31 8.05 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -59.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.57 50.22 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.88 126.64 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -91.09 144.51 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -143.09 162.8 34.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.05 121.37 24.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -42.63 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -63.94 -19.87 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.5 m -91.22 -31.63 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.6 12.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.7 t -106.04 94.29 9.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.48 119.67 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -117.13 139.34 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -133.86 121.77 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -56.99 -177.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.78 -46.87 87.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.34 -59.12 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.7 -39.34 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.25 84.85 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -118.0 109.5 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.63 105.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.43 91.86 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.49 157.69 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -58.94 -21.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.56 -4.07 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.8 p 54.38 37.55 27.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.5 t -125.96 112.82 16.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.6 p -76.93 -4.52 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.2 mtp -54.87 134.48 48.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.9 t -65.37 89.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -60.59 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -56.47 -37.06 69.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.6 128.09 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.1 mtt -102.27 167.01 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.39 128.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.56 139.7 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.41 151.6 9.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.11 18.9 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -116.28 111.52 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -58.95 -22.35 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -89.44 10.4 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.12 -60.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 52.33 57.42 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.51 123.31 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -86.06 147.27 26.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -143.5 165.22 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -80.55 116.48 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -54.64 -45.39 73.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.66 -22.43 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.3 m -88.54 -32.17 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.45 13.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 158' ' ' PRO . 3.5 p -105.53 94.14 8.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.577 0.703 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.78 159.93 51.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.54 2.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.8 p -97.48 124.04 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -126.14 142.19 51.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -134.12 124.01 25.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.3 p -57.45 -175.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.49 -47.12 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.7 mt -51.35 -57.82 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 60.3 m -67.2 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.37 84.82 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -113.69 106.72 14.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.5 t -81.89 107.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.16 91.59 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.23 157.85 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 pt -58.95 -22.85 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.25 -2.91 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p 53.18 38.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.84 115.45 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.1 p -94.55 31.97 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -86.58 179.84 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.73 77.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.523 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.1 p-10 -60.08 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.85 -39.82 69.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.523 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.87 126.39 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.5 mtp -103.74 160.62 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.19 138.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -90.71 146.08 24.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 43.6 t -58.45 152.68 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.14 17.52 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -118.17 116.77 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -22.54 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -86.82 8.19 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -58.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 51.62 54.67 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 9.4 m -117.81 126.53 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -90.28 145.3 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -144.76 158.84 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 144' ' ' CYS . 47.2 m170 -75.49 114.66 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.1 -41.26 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.68 -30.05 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 141' ' ' HIS . 35.0 m -78.49 -34.0 47.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 16.3 m -98.3 11.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.2 t -101.55 98.43 9.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.96 36.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.17 128.52 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -110.96 138.45 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -133.45 122.52 23.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.64 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.89 -46.87 87.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.94 -59.23 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.7 -30.54 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.21 84.24 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -116.88 108.76 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.37 105.07 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.94 92.17 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 t -107.57 157.52 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 pt -58.9 -21.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.01 -3.68 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 p 55.64 35.95 26.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.77 115.97 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p -94.03 31.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -179.85 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.48 86.9 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.7 p-10 -68.83 -169.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.79 -38.51 78.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.584 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.8 125.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.52 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.25 134.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.63 140.06 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.68 151.16 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 19.64 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -117.08 111.39 19.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -22.71 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.15 10.05 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.1 t -127.06 -59.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.64 57.36 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.5 m -120.26 123.33 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -86.98 139.24 30.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -135.18 165.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -83.26 114.24 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.73 -42.35 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.59 -22.15 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 58.3 m -87.97 -32.25 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.9 m -101.9 14.07 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.76 95.56 6.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 161.29 46.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.46 2.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.1 p -105.02 125.83 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -118.8 140.89 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.91 125.86 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.81 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.14 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.34 -59.56 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 67.6 m -63.56 -37.92 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.61 89.53 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -120.97 111.57 17.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 24.8 t -81.58 109.67 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -132.17 91.48 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.4 t -111.23 156.75 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.1 pt -59.09 -22.35 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -82.34 -4.93 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 p 53.28 38.43 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.96 116.16 21.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.9 p -93.47 29.68 1.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ptm -79.89 179.86 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.04 80.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.4 p-10 -61.34 -166.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.405 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -165.4 132.16 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.73 166.48 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.28 132.06 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.79 141.15 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.61 152.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.12 17.27 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -117.02 116.73 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.56 -22.66 66.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -87.65 8.85 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -59.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.02 56.24 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.4 m -118.79 124.19 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -86.99 147.91 25.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -146.7 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -72.78 115.27 11.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.56 -40.42 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -63.9 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 29.4 m -76.15 -35.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 27.1 m -94.69 8.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 158' ' ' PRO . 43.7 t -100.5 99.93 11.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.83 164.28 35.19 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.49 133.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -117.49 139.46 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -133.27 122.94 24.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.8 p -58.16 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.5 -46.54 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.54 -59.01 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.97 -38.85 92.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.859 0.362 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.03 82.86 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -121.8 111.73 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.48 107.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.51 91.71 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.89 157.36 19.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.5 pt -59.2 -21.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -84.31 -3.19 58.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.82 38.94 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 117.12 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.3 p -94.39 31.39 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.1 ptp -82.91 -179.49 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -97.6 79.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.9 p-10 -60.12 -169.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -37.98 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.548 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.5 127.41 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.5 mtp -103.74 161.95 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.15 140.32 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.99 147.55 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.82 151.7 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -88.38 16.11 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -113.62 112.11 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -23.94 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -87.25 8.19 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.52 -59.1 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.76 48.72 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.75 127.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -91.79 144.1 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.02 164.89 28.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -80.76 122.19 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.1 mt -54.41 -42.47 70.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.32 -19.67 65.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 32.4 m -91.27 -31.16 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.13 12.09 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -105.79 93.98 8.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.7 52.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.36 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.0 p -98.83 120.69 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -114.16 139.36 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -133.8 119.43 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.02 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.98 -47.29 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.19 -59.04 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.75 -26.0 68.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.64 86.85 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.14 109.83 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.35 106.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.28 91.86 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.02 157.74 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.0 pt -59.09 -22.19 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.5 p -84.54 -2.64 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.9 p 53.77 37.97 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.7 t -124.33 116.04 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -93.95 31.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 mtp -87.62 -179.61 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.5 87.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.19 -169.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -38.76 80.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.791 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.581 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.5 t -164.08 125.81 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.67 159.85 14.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.0 tt -150.14 133.14 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -86.38 138.64 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 46.8 t -53.04 149.95 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.05 19.53 4.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -117.2 110.96 18.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -22.29 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -88.4 10.82 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 -59.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 51.88 61.28 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 m -124.53 124.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -86.02 139.34 31.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -136.03 165.15 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.53 112.3 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.6 -28.93 70.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.01 -34.64 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -98.84 13.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.05 97.38 8.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.56 41.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.5 p -107.18 128.04 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -115.88 141.03 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -133.4 115.81 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.7 p -48.55 160.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -50.67 -45.38 58.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -48.41 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 90.5 m -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.0 81.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -119.08 109.84 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.68 104.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 92.06 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -108.71 157.63 18.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 30.1 pt -59.07 -21.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.32 -1.5 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 p 52.48 38.83 26.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.45 110.78 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.5 p -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 40.3 mtm -57.61 -177.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 t -113.33 96.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -61.53 -166.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -32.25 70.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.7 126.22 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.1 mtp -104.73 164.6 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.9 tt -150.27 135.98 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -90.07 145.84 24.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.9 151.73 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.43 18.69 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -117.4 114.43 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -22.95 64.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -87.39 7.54 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 -59.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.63 52.09 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -114.26 126.06 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -90.71 141.84 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -138.33 165.36 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -81.27 116.5 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.23 -30.78 66.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -75.97 -21.04 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.5 m -91.77 -25.95 18.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.1 m -104.15 13.9 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.07 97.51 8.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.0 39.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.54 2.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.8 t -104.0 123.98 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -114.6 126.65 55.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -121.4 120.74 35.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.1 p -56.57 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.16 -47.08 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.22 -58.8 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 69.3 m -65.81 -26.84 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.76 82.94 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -115.53 107.96 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.66 105.22 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.13 91.99 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.69 157.55 18.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.4 pt -58.84 -22.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.0 p -84.67 -1.74 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.52 38.34 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.1 t -123.1 115.37 21.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.7 p -93.83 30.94 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -179.8 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 86.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.07 -168.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -39.42 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.16 126.0 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 44.7 mtp -102.33 162.85 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.4 tt -150.4 133.18 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -87.96 142.42 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.6 t -56.13 151.15 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.89 19.8 3.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -119.19 112.36 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -22.57 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -87.41 8.4 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -59.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 51.22 60.73 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.52 124.15 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -87.72 141.93 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -138.57 165.07 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -82.13 113.47 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.49 -41.98 73.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -64.52 -22.46 66.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 65.1 m -87.69 -30.85 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.5 m -103.03 13.84 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.916 0.388 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.5 t -102.71 96.06 7.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.01 43.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.69 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.7 t -104.95 129.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -121.02 126.57 50.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -120.81 121.93 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.14 -176.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.42 -46.84 88.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.5 mt -51.86 -58.4 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 78.1 m -66.43 -28.74 68.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.48 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -116.91 108.53 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.3 t -82.11 105.59 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -126.61 91.98 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.58 157.99 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 42.4 pt -59.27 -21.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -85.18 -3.07 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.8 p 54.73 36.73 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.32 115.59 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 43.2 p -94.28 31.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.07 179.98 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.75 87.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.3 p-10 -69.19 -169.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -37.73 76.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.601 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.8 t -163.73 124.52 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.47 159.21 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.4 tt -150.25 137.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.62 147.22 23.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.3 151.99 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 18.36 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -116.83 113.52 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.21 -24.12 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -85.91 5.19 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -59.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 53.05 49.28 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.27 126.62 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -92.11 144.53 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -143.33 165.09 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -82.11 117.17 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.48 -42.73 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.75 -23.95 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.8 m -85.4 -32.58 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.06 13.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.931 0.396 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.2 p -98.75 102.97 16.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.82 36.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.78 124.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -114.87 127.04 55.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.06 119.44 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 11.5 p -55.36 -179.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.54 -47.49 81.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.56 -58.95 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 76.8 m -62.94 -39.23 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -118.79 88.17 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -119.99 109.94 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.29 105.94 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 92.08 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.8 t -108.73 156.93 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.7 pt -59.23 -21.05 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.0 p -85.72 -2.83 58.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p 53.91 37.63 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.65 115.4 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p -94.05 30.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -178.57 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.32 89.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -69.13 -164.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.93 -36.17 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 126.88 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.9 mtp -106.25 165.01 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.4 tt -150.2 136.03 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.58 150.85 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.76 19.66 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -117.15 111.05 18.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -22.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -89.34 10.29 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.2 t -127.2 -60.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 53.08 57.65 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.8 m -121.08 122.65 68.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -86.15 139.88 30.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -134.06 165.65 24.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -83.21 113.52 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.16 -34.45 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.3 -20.34 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.8 m -91.23 -27.56 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.8 m -104.52 13.49 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.2 t -102.97 95.29 6.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.52 49.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.2 p -104.02 126.3 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -119.24 140.29 50.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -133.9 125.74 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.78 -175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.43 -46.84 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.25 -59.58 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.8 m -63.63 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.33 84.41 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -118.19 106.87 13.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.2 t -81.68 106.65 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.35 92.04 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.0 t -107.03 157.84 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.13 -21.96 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.3 p -85.12 -2.48 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p 54.07 37.55 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -124.59 115.55 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.9 p -94.09 31.15 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.1 mtp -87.81 -179.92 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.53 86.42 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.575 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -68.37 -169.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -39.02 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.575 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.7 t -164.02 125.21 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.6 159.84 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.21 134.45 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -86.62 146.47 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.54 150.33 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.68 22.43 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -115.43 110.72 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -23.54 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.32 16.16 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -62.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 52.37 60.09 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.8 m -120.41 127.46 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -89.42 140.51 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.14 165.23 27.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -81.76 113.64 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.49 -42.66 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.33 -28.06 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 46.5 m -80.98 -34.63 32.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.68 14.01 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 95.14 6.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.45 42.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.69 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.61 121.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -110.48 126.36 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -122.0 110.15 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.69 157.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.47 -44.31 55.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.64 -48.85 58.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.89 -50.23 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.43 80.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.01 113.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.79 102.58 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.12 92.17 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -111.29 157.0 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.71 -22.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.47 -2.81 56.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.78 39.06 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -121.37 116.07 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.9 p -93.51 31.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -179.77 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.17 89.19 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -67.55 -168.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -37.9 82.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -164.01 126.03 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.4 mtp -103.31 163.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.26 133.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.7 140.67 29.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.5 t -55.33 150.67 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.02 19.48 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -117.78 112.1 19.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -87.81 8.57 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.58 -59.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.62 56.13 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.35 123.73 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -87.66 139.92 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -135.97 165.2 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -81.93 115.33 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -65.71 -20.12 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 69.0 m -91.02 -29.72 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.2 m -104.36 13.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.366 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.5 t -101.0 98.61 8.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.22 46.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.384 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.57 128.03 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -120.43 140.37 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.61 125.49 28.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.9 p -58.04 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.47 -46.66 87.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.25 -59.18 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 79.8 m -63.88 -38.83 92.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.45 80.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 112.69 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.41 108.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 91.27 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.3 pt -58.95 -21.98 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.34 -3.8 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 p 52.8 39.13 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -126.27 115.46 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.4 p -94.25 30.98 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -179.08 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.93 88.51 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.1 p-10 -69.66 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.87 -39.0 80.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.56 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -163.75 126.81 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 mtp -103.28 156.29 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.3 tt -141.99 137.36 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.77 148.43 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.69 152.21 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.67 19.23 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -115.08 116.06 27.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -25.3 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -87.65 7.25 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.25 -61.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 54.0 41.72 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.44 128.35 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.27 147.52 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -146.8 157.04 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -72.89 121.42 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.6 -46.09 77.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.21 -20.27 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 43.8 m -90.96 -32.32 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.56 13.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 158' ' ' PRO . 3.5 p -105.75 93.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.732 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 54.0 Cg_endo -69.74 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.8 p -99.27 124.36 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -123.27 140.13 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -134.21 125.11 27.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.6 p -57.47 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.83 -46.3 82.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -50.72 -58.75 5.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 43.0 m -63.06 -38.63 91.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.26 86.6 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 109.55 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.5 108.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 91.76 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.6 158.12 17.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 pt -58.88 -22.25 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.15 -3.71 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p 54.75 36.58 26.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 115.84 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 37.7 p -94.04 31.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.5 mtp -87.52 -179.96 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.15 87.96 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.42 -169.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -38.92 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.581 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.15 126.34 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.08 158.76 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.5 tt -150.08 137.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -88.12 151.73 22.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.55 151.07 47.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.37 19.72 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -115.9 110.81 19.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -21.86 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.07 11.45 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -61.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 53.93 53.04 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.54 132.42 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -95.41 138.03 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -136.57 165.29 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -80.4 117.99 21.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -54.8 -45.13 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -60.75 -22.7 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.84 -33.71 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.51 13.33 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.6 p -106.5 93.14 7.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 160.4 49.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.26 115.32 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -108.27 136.47 47.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.34 109.02 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.76 157.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.4 -42.2 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -50.05 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 89.7 m -73.12 -49.3 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -160.33 -57.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -130.87 28.67 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 25.18 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -99.49 92.32 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -73.46 153.88 89.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.59 35.89 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -23.32 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.19 85.1 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -120.88 109.48 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.91 107.44 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 91.63 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.8 t -110.84 157.22 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.2 pt -59.1 -22.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 p -83.41 -3.73 57.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.46 38.28 27.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -126.8 115.68 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.9 p -94.23 31.39 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 180.0 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.55 88.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.2 p-10 -70.48 -169.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -39.13 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.544 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.2 t -163.78 126.17 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.0 mtp -101.3 159.48 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.33 136.44 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -92.01 145.49 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.17 151.54 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.39 19.45 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -118.05 112.55 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.98 -24.02 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -86.25 6.09 31.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.09 -59.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 51.85 53.16 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 18.6 m -115.65 125.51 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -89.96 143.62 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -142.9 158.93 43.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -76.96 114.33 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -51.52 -42.2 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.25 -31.03 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.61 -34.1 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.61 14.16 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -100.88 128.42 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.4 mm -120.22 90.62 45.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.95 52.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.3 -20.24 52.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -149.35 160.59 34.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 115.85 4.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 83.46 14.03 74.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.6 -173.22 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 106.78 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.95 161.0 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 101.92 13.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.76 94.91 5.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 163.59 37.64 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.41 2.1 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.2 t -105.97 125.76 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.18 126.89 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -121.95 121.26 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.4 p -56.07 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.02 -47.17 86.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.1 mt -51.38 -58.49 6.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 81.8 m -63.62 -40.09 96.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -50.53 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.36 -44.81 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -23.98 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -26.47 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.26 31.63 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m 72.1 -69.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 110.925 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -96.5 32.27 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -26.32 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -69.52 92.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -86.92 153.73 54.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -24.24 30.03 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -116.64 -19.29 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.35 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -118.4 109.44 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.5 107.99 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.5 91.62 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.6 157.23 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.6 pt -59.01 -21.98 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -83.43 -4.07 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.46 38.14 27.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -126.09 115.45 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.4 p -94.49 31.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.3 mtp -86.63 -179.56 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.23 87.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.1 p-10 -69.03 -169.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -38.2 77.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.595 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.9 t -163.93 125.34 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.76 159.55 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.18 134.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -87.62 144.1 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.62 150.53 27.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.6 20.78 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.76 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -91.6 13.61 17.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.92 -60.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 52.4 60.43 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.6 m -122.53 125.71 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -88.27 141.82 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -140.24 159.63 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -77.03 113.86 15.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.82 -41.83 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.45 -30.54 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.6 m -78.17 -34.19 49.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.3 m -99.55 14.15 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.08 128.6 46.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.4 mm -120.25 90.68 45.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 111.158 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.79 51.81 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.75 -20.62 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -148.89 160.61 34.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 115.79 4.25 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.23 74.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.87 -173.03 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.16 107.42 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.64 160.75 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.82 102.78 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.74 94.87 5.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.47 38.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.24 2.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 p -105.65 125.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -116.33 140.55 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -133.76 124.98 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.57 -175.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.88 -46.66 88.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.65 -59.36 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 59.3 m -64.27 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -56.53 18.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.2 -35.83 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.9 t -64.91 -26.42 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -99.09 -22.68 15.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 63.82 36.11 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -160.23 148.64 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -112.83 27.53 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 25.71 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.02 92.22 6.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -84.72 153.75 61.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.69 29.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.18 -18.31 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.89 85.52 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -116.76 107.54 14.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.88 107.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 91.42 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.84 157.79 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.7 pt -58.79 -22.64 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.75 -4.13 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 p 53.92 37.63 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.62 115.99 19.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.8 p -94.29 31.41 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.02 179.7 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.49 77.77 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.52 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -59.86 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.61 -38.77 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.52 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.79 127.02 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.8 mtp -103.97 162.05 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.09 136.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -90.03 143.87 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.63 150.46 23.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 20.36 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -115.26 110.76 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -23.41 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 11.81 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.88 -61.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 52.66 62.41 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.59 124.6 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -87.42 145.68 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -145.89 154.46 41.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -71.51 113.86 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.5 -41.73 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.76 -31.36 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.13 -34.02 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.9 m -99.5 13.76 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.4 mt -100.29 132.1 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mm -123.78 90.48 50.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 147.39 63.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -14.13 60.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -168.3 154.42 6.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 116.76 4.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 114.12 -23.94 12.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.66 179.84 7.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.9 m -84.93 115.45 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -52.86 165.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.7 102.56 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.45 94.11 5.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 164.85 32.95 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.69 126.02 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -117.52 141.97 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -134.04 125.26 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.59 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.6 -46.94 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.38 -59.56 4.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.25 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.85 -54.44 38.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.34 -42.95 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -24.53 67.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.73 -27.48 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.24 -22.62 52.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 t -173.07 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -54.02 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.13 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.63 92.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.65 153.97 87.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -20.28 34.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.58 -23.04 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.2 81.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -116.87 108.5 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.2 t -82.28 106.96 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.84 91.37 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.92 157.89 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.0 pt -59.05 -22.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.63 -3.05 57.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.37 38.05 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 115.49 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.3 p -94.36 31.88 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.48 179.29 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -91.43 77.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.5 p-10 -60.14 -169.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -39.35 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.548 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -164.76 126.18 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 26.8 mtp -103.2 160.69 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.15 138.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -91.73 145.62 24.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.91 152.86 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.06 16.85 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.3 117.23 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -22.32 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -87.23 8.59 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 -58.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 51.41 51.93 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.4 m -114.57 125.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -89.79 146.12 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -145.76 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -75.18 114.91 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.9 -42.08 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.85 -29.98 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.2 m -78.38 -35.2 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 17.3 m -97.16 11.76 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.16 114.45 26.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.5 mm -119.11 110.71 37.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.63 51.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -51.84 -29.83 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -137.49 161.03 62.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.85 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.295 . . . . 0.0 112.358 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.71 62.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -172.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.62 123.19 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.09 165.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.2 113.92 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.2 t -101.57 98.35 9.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.02 36.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.46 2.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.66 128.96 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -111.05 138.09 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.46 121.92 22.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.21 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.53 -47.0 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.26 -59.09 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.5 m -66.12 -26.29 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -49.74 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.15 -30.52 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 42.7 t -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -93.88 -23.27 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.77 32.02 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.3 p -95.58 51.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.34 -27.25 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 p -111.66 25.05 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.54 92.38 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -71.55 153.98 93.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -23.06 31.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -20.28 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.38 85.09 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -117.59 109.44 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.3 104.99 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.67 92.14 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.29 157.67 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 pt -59.07 -21.72 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.1 -2.88 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p 54.59 36.94 27.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 t -123.63 116.14 22.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.3 p -93.99 31.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 mtp -88.36 -179.56 6.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.8 87.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.8 p-10 -69.46 -169.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -38.41 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.587 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.79 125.61 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.83 160.68 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.5 tt -150.04 132.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.99 138.75 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.7 t -53.14 150.46 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.57 19.8 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -117.4 111.48 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.84 -22.62 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -88.86 10.13 22.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.75 -59.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.07 59.7 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.8 m -122.75 122.89 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.05 138.94 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.0 165.2 25.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -83.64 113.98 21.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.86 -41.35 70.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.01 -24.84 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.97 -32.12 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.93 14.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.2 mt -95.45 118.47 32.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.3 mm -121.0 108.01 37.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.09 56.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -51.63 -33.56 33.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.7 160.87 57.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 115.98 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.76 54.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -75.68 -169.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.54 123.75 33.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.21 165.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.91 113.87 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.6 t -102.25 96.63 7.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.375 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -44.33 2.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.616 2.21 . . . . 0.0 112.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.16 127.87 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -120.14 140.48 51.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.72 124.47 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.63 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.13 -46.73 87.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.09 -59.14 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.67 -36.92 85.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -56.69 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.05 -34.16 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 t -65.59 -26.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -100.6 -22.1 15.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 59.3 28.13 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.18 132.79 35.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -128.68 -46.04 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 p -166.43 47.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.36 90.82 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -61.77 153.42 71.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.66 28.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -108.23 -28.8 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.82 83.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -112.81 107.76 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -80.99 108.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 91.67 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.88 156.58 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -59.39 -21.26 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -84.0 -4.13 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.6 p 52.8 39.23 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -125.93 115.12 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 30.3 p -94.54 31.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.22 179.93 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.1 88.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.0 p-10 -70.06 -168.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -38.72 86.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.544 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.15 126.52 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 17.2 mtp -101.47 162.63 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.16 137.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -89.94 146.41 24.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.18 151.97 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 17.44 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -115.65 113.01 22.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -23.84 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.31 8.05 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -59.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.57 50.22 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.88 126.64 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -91.09 144.51 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -143.09 162.8 34.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.05 121.37 24.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -42.63 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -63.94 -19.87 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.5 m -91.22 -31.63 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.6 12.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.69 116.25 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.98 131.22 23.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.64 60.83 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.69 -24.49 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -137.17 160.94 63.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.87 4.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.776 2.317 . . . . 0.0 112.345 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 97.88 -19.24 55.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -169.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.64 165.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -144.62 145.05 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.7 t -106.04 94.29 9.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.48 119.67 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -117.13 139.34 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -133.86 121.77 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -56.99 -177.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.78 -46.87 87.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.34 -59.12 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.7 -39.34 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -41.95 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.71 -37.03 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -71.9 -15.15 62.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -33.98 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -114.89 -58.56 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 t 72.13 -69.26 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -107.42 30.38 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 p -152.29 46.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -80.24 90.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -62.08 153.47 73.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -27.93 25.75 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.731 2.288 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -20.65 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.25 84.85 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -118.0 109.5 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.63 105.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.43 91.86 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.49 157.69 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -58.94 -21.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.56 -4.07 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.8 p 54.38 37.55 27.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.5 t -125.96 112.82 16.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.6 p -76.93 -4.52 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.2 mtp -54.87 134.48 48.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.9 t -65.37 89.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -60.59 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -56.47 -37.06 69.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.6 128.09 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.1 mtt -102.27 167.01 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.39 128.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.56 139.7 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.41 151.6 9.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.11 18.9 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -116.28 111.52 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -58.95 -22.35 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -89.44 10.4 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.12 -60.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 52.33 57.42 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.51 123.31 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -86.06 147.27 26.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -143.5 165.22 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -80.55 116.48 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -54.64 -45.39 73.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.66 -22.43 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.3 m -88.54 -32.17 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.45 13.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.3 101.04 12.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.3 mm -111.8 120.88 41.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.676 0.751 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 148.69 65.22 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.92 -29.52 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.9 160.81 64.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.24 4.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.55 -17.36 59.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -173.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 p -83.7 123.91 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.92 165.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.02 125.74 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 158' ' ' PRO . 3.5 p -105.53 94.14 8.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.577 0.703 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.78 159.93 51.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.54 2.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.8 p -97.48 124.04 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -126.14 142.19 51.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -134.12 124.01 25.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.3 p -57.45 -175.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.49 -47.12 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.7 mt -51.35 -57.82 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 60.3 m -67.2 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -52.47 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.3 mt -72.37 -35.15 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 11.6 t -69.67 -27.75 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -95.54 -23.49 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.76 27.44 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.5 p -169.7 39.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -26.66 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.1 25.54 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -94.66 92.19 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -85.34 153.68 59.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.38 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.52 -18.19 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.37 84.82 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -113.69 106.72 14.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.5 t -81.89 107.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.16 91.59 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.23 157.85 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 pt -58.95 -22.85 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.25 -2.91 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p 53.18 38.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.84 115.45 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.1 p -94.55 31.97 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -86.58 179.84 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.73 77.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.523 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.1 p-10 -60.08 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.85 -39.82 69.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.523 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.87 126.39 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.5 mtp -103.74 160.62 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.19 138.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -90.71 146.08 24.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 43.6 t -58.45 152.68 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.14 17.52 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -118.17 116.77 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -22.54 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -86.82 8.19 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -58.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 51.62 54.67 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 9.4 m -117.81 126.53 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -90.28 145.3 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -144.76 158.84 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 144' ' ' CYS . 47.2 m170 -75.49 114.66 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.1 -41.26 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.68 -30.05 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 141' ' ' HIS . 35.0 m -78.49 -34.0 47.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 16.3 m -98.3 11.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.88 115.62 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.62 109.85 37.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.53 57.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.645 2.23 . . . . 0.0 112.398 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -33.2 30.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.73 160.93 56.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.92 4.32 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 101.36 -17.44 55.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -76.04 -169.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.16 124.9 34.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.75 165.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.06 113.39 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.2 t -101.55 98.43 9.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.96 36.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.17 128.52 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -110.96 138.45 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -133.45 122.52 23.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.64 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.89 -46.87 87.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.94 -59.23 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.7 -30.54 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -52.98 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.74 -22.64 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 21.0 t -79.89 -19.22 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -111.11 -24.75 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -110.02 -44.43 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m 52.78 70.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.12 10.53 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.18 60.76 2.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -114.5 91.47 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.74 153.91 89.31 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.09 31.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -19.62 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.21 84.24 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -116.88 108.76 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.37 105.07 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.94 92.17 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 t -107.57 157.52 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 pt -58.9 -21.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.01 -3.68 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 p 55.64 35.95 26.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.77 115.97 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p -94.03 31.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -179.85 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.48 86.9 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.7 p-10 -68.83 -169.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.79 -38.51 78.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.584 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.8 125.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.52 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.25 134.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.63 140.06 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.68 151.16 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 19.64 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -117.08 111.39 19.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -22.71 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.15 10.05 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.1 t -127.06 -59.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.64 57.36 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.5 m -120.26 123.33 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -86.98 139.24 30.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -135.18 165.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -83.26 114.24 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.73 -42.35 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.59 -22.15 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 58.3 m -87.97 -32.25 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.9 m -101.9 14.07 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.7 mt -94.87 115.75 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.02 111.32 34.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.693 0.759 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 149.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -53.7 -27.7 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.36 160.86 63.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.89 4.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.26 10.99 70.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.09 -172.78 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.355 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.15 117.55 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.65 165.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.74 115.76 25.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.76 95.56 6.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 161.29 46.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.46 2.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.1 p -105.02 125.83 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -118.8 140.89 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.91 125.86 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.81 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.14 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.34 -59.56 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 67.6 m -63.56 -37.92 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.7 -55.07 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.3 -42.61 88.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -24.49 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -93.56 -28.03 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.38 26.06 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -154.58 96.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.15 -30.89 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -26.45 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.75 92.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.27 154.16 64.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.542 0.686 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.4 32.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.41 -20.33 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.61 89.53 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -120.97 111.57 17.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 24.8 t -81.58 109.67 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -132.17 91.48 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.4 t -111.23 156.75 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.1 pt -59.09 -22.35 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -82.34 -4.93 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 p 53.28 38.43 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.96 116.16 21.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.9 p -93.47 29.68 1.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ptm -79.89 179.86 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.04 80.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.4 p-10 -61.34 -166.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.405 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -165.4 132.16 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.73 166.48 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.28 132.06 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.79 141.15 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.61 152.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.12 17.27 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -117.02 116.73 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.56 -22.66 66.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -87.65 8.85 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -59.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.02 56.24 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.4 m -118.79 124.19 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -86.99 147.91 25.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -146.7 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -72.78 115.27 11.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.56 -40.42 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -63.9 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 29.4 m -76.15 -35.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 27.1 m -94.69 8.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.22 120.4 37.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 1.3 mm -120.96 105.07 40.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.8 Cg_endo -69.77 139.0 39.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -51.72 -31.08 24.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -138.27 160.81 62.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.91 4.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.311 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.93 -20.95 48.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -177.78 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.4 m -80.69 120.61 24.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.63 164.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -111.3 112.61 24.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 158' ' ' PRO . 43.7 t -100.5 99.93 11.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.83 164.28 35.19 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.49 133.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -117.49 139.46 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -133.27 122.94 24.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.8 p -58.16 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.5 -46.54 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.54 -59.01 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.97 -38.85 92.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -54.24 -52.98 59.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.5 mt -66.74 -43.58 83.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -24.61 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.69 -26.85 16.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -178.11 -66.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.68 123.34 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -126.78 26.97 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.5 p -177.2 84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.28 89.77 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.74 153.39 42.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.691 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.61 37.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.0 -25.44 9.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.03 82.86 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -121.8 111.73 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.48 107.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.51 91.71 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.89 157.36 19.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.5 pt -59.2 -21.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -84.31 -3.19 58.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.82 38.94 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 117.12 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.3 p -94.39 31.39 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.1 ptp -82.91 -179.49 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -97.6 79.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.9 p-10 -60.12 -169.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -37.98 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.548 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.5 127.41 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.5 mtp -103.74 161.95 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.15 140.32 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.99 147.55 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.82 151.7 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -88.38 16.11 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -113.62 112.11 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -23.94 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -87.25 8.19 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.52 -59.1 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.76 48.72 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.75 127.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -91.79 144.1 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.02 164.89 28.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -80.76 122.19 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.1 mt -54.41 -42.47 70.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.32 -19.67 65.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 32.4 m -91.27 -31.16 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.13 12.09 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 99.73 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.5 mm -116.7 130.9 24.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.26 44.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.18 -31.09 18.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 158.23 71.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.74 31.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.36 -17.8 54.49 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.94 -172.14 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.19 131.35 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.33 161.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.33 151.32 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -105.79 93.98 8.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.7 52.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.36 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.0 p -98.83 120.69 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -114.16 139.36 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -133.8 119.43 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.02 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.98 -47.29 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.19 -59.04 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.75 -26.0 68.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -50.67 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 12.7 mt -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -34.2 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -88.66 -22.69 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.41 64.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -149.8 67.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -100.29 28.95 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.57 24.52 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -94.87 92.24 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -84.2 153.67 62.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.54 29.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -116.38 -20.83 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.64 86.85 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.14 109.83 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.35 106.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.28 91.86 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.02 157.74 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.0 pt -59.09 -22.19 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.5 p -84.54 -2.64 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.9 p 53.77 37.97 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.7 t -124.33 116.04 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -93.95 31.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 mtp -87.62 -179.61 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.5 87.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.19 -169.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -38.76 80.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.791 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.581 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.5 t -164.08 125.81 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.67 159.85 14.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.0 tt -150.14 133.14 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -86.38 138.64 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 46.8 t -53.04 149.95 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.05 19.53 4.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -117.2 110.96 18.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -22.29 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -88.4 10.82 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 -59.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 51.88 61.28 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 m -124.53 124.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -86.02 139.34 31.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -136.03 165.15 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.53 112.3 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.6 -28.93 70.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.01 -34.64 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -98.84 13.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.6 116.75 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.4 mm -120.06 109.33 37.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.77 55.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.39 -32.31 25.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -140.3 160.93 57.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.94 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.88 58.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -75.62 -171.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.55 123.79 32.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.01 165.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.46 114.19 24.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.05 97.38 8.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.56 41.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.5 p -107.18 128.04 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -115.88 141.03 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -133.4 115.81 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.7 p -48.55 160.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -50.67 -45.38 58.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -48.41 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 90.5 m -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -35.03 79.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.23 -35.69 19.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 9.4 p -75.55 -19.63 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -111.77 -24.44 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.08 34.48 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 123.11 26.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.21 -42.95 4.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.6 p -109.5 84.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -108.1 89.78 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.69 153.36 63.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.76 37.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.25 -26.25 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.0 81.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -119.08 109.84 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.68 104.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 92.06 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -108.71 157.63 18.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 30.1 pt -59.07 -21.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.32 -1.5 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 p 52.48 38.83 26.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.45 110.78 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.5 p -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 40.3 mtm -57.61 -177.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 t -113.33 96.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -61.53 -166.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -32.25 70.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.7 126.22 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.1 mtp -104.73 164.6 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.9 tt -150.27 135.98 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -90.07 145.84 24.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.9 151.73 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.43 18.69 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -117.4 114.43 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -22.95 64.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -87.39 7.54 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 -59.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.63 52.09 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -114.26 126.06 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -90.71 141.84 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -138.33 165.36 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 55.1 m170 -81.27 116.5 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.23 -30.78 66.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -75.97 -21.04 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.5 m -91.77 -25.95 18.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.1 m -104.15 13.9 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.71 128.39 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mm -119.12 92.32 45.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.725 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 141.71 45.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.12 -24.08 24.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 161.06 33.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.563 0.696 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.88 4.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.46 11.02 69.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.445 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.19 -176.0 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.84 107.95 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.14 159.68 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -101.62 105.17 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.07 97.51 8.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.0 39.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.54 2.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.8 t -104.0 123.98 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -114.6 126.65 55.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -121.4 120.74 35.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.1 p -56.57 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.16 -47.08 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.22 -58.8 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 69.3 m -65.81 -26.84 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -50.03 61.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.69 -33.17 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.9 t -72.31 -32.92 66.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -89.89 -23.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 59.28 27.89 17.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -94.87 53.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -113.76 30.53 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -175.14 84.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.51 89.84 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.65 153.36 71.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.541 0.686 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -27.29 26.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.33 -24.19 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.76 82.94 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -115.53 107.96 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.66 105.22 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.13 91.99 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.69 157.55 18.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.4 pt -58.84 -22.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.0 p -84.67 -1.74 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.52 38.34 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.1 t -123.1 115.37 21.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.7 p -93.83 30.94 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -179.8 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 86.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.07 -168.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -39.42 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.16 126.0 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 44.7 mtp -102.33 162.85 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.4 tt -150.4 133.18 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -87.96 142.42 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.6 t -56.13 151.15 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.89 19.8 3.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -119.19 112.36 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -22.57 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -87.41 8.4 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -59.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 51.22 60.73 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.52 124.15 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -87.72 141.93 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -138.57 165.07 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -82.13 113.47 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.49 -41.98 73.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -64.52 -22.46 66.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 65.1 m -87.69 -30.85 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.5 m -103.03 13.84 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.4 mt -95.26 112.63 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.42 112.77 34.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.47 69.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -27.83 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -136.55 161.22 63.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.88 4.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 86.71 11.36 71.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.51 -172.24 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.69 118.09 18.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.23 165.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -122.66 116.47 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.5 t -102.71 96.06 7.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.01 43.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.69 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.7 t -104.95 129.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -121.02 126.57 50.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -120.81 121.93 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.14 -176.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.42 -46.84 88.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.5 mt -51.86 -58.4 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 78.1 m -66.43 -28.74 68.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -52.09 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.69 -34.18 69.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 11.2 t -70.89 -30.66 67.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -92.08 -23.2 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.53 26.15 15.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 m 61.1 82.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -56.2 5.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.45 25.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.45 92.35 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -72.72 154.17 91.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.66 35.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.38 -21.86 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.48 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -116.91 108.53 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.3 t -82.11 105.59 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -126.61 91.98 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.58 157.99 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 42.4 pt -59.27 -21.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -85.18 -3.07 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.8 p 54.73 36.73 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.32 115.59 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 43.2 p -94.28 31.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.07 179.98 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.75 87.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.3 p-10 -69.19 -169.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -37.73 76.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.601 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.8 t -163.73 124.52 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.47 159.21 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.4 tt -150.25 137.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.62 147.22 23.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.3 151.99 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 18.36 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -116.83 113.52 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.21 -24.12 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -85.91 5.19 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -59.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 53.05 49.28 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.27 126.62 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -92.11 144.53 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -143.33 165.09 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -82.11 117.17 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.48 -42.73 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.75 -23.95 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.8 m -85.4 -32.58 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.06 13.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.8 121.43 41.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 1.4 mm -120.64 106.55 39.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.156 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.9 Cg_endo -69.74 139.97 41.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.49 -30.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 160.84 61.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.88 4.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.39 -18.44 57.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -172.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 m -85.06 119.63 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.76 160.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.79 104.27 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.2 p -98.75 102.97 16.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.82 36.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.78 124.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -114.87 127.04 55.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.06 119.44 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 11.5 p -55.36 -179.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.54 -47.49 81.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.56 -58.95 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 76.8 m -62.94 -39.23 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -50.95 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.04 -43.41 82.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -24.64 67.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -25.23 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -178.2 -67.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -144.71 79.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.93 -54.96 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.4 p -115.48 84.55 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -108.24 89.78 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.65 153.33 71.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -26.83 27.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.8 -22.19 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -118.79 88.17 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -119.99 109.94 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.29 105.94 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 92.08 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.8 t -108.73 156.93 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.7 pt -59.23 -21.05 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.0 p -85.72 -2.83 58.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p 53.91 37.63 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.65 115.4 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p -94.05 30.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -178.57 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.32 89.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -69.13 -164.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.93 -36.17 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 126.88 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.9 mtp -106.25 165.01 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.4 tt -150.2 136.03 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.58 150.85 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.76 19.66 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -117.15 111.05 18.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -22.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -89.34 10.29 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.2 t -127.2 -60.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 53.08 57.65 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.8 m -121.08 122.65 68.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -86.15 139.88 30.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -134.06 165.65 24.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -83.21 113.52 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.16 -34.45 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.3 -20.34 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.8 m -91.23 -27.56 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.8 m -104.52 13.49 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -94.77 115.39 27.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.3 mm -120.95 110.78 34.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 149.23 66.64 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -27.85 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.67 161.05 62.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.38 10.95 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -97.91 -172.64 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.49 117.08 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.63 165.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -118.18 115.68 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.2 t -102.97 95.29 6.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.52 49.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.2 p -104.02 126.3 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -119.24 140.29 50.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -133.9 125.74 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.78 -175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.43 -46.84 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.25 -59.58 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.8 m -63.63 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.17 -55.46 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -23.75 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.813 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -29.26 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.21 -23.71 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -120.8 125.19 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.94 -52.48 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.91 24.59 14.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -96.28 92.31 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -60.79 153.7 62.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.11 27.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.55 -17.98 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.33 84.41 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -118.19 106.87 13.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.2 t -81.68 106.65 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.35 92.04 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.0 t -107.03 157.84 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.13 -21.96 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.3 p -85.12 -2.48 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p 54.07 37.55 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -124.59 115.55 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.9 p -94.09 31.15 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.1 mtp -87.81 -179.92 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.53 86.42 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.575 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -68.37 -169.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -39.02 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.575 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.7 t -164.02 125.21 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.6 159.84 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.21 134.45 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -86.62 146.47 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.54 150.33 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.68 22.43 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -115.43 110.72 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -23.54 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.32 16.16 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -62.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 52.37 60.09 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.8 m -120.41 127.46 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -89.42 140.51 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.14 165.23 27.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -81.76 113.64 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.49 -42.66 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.33 -28.06 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 46.5 m -80.98 -34.63 32.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.68 14.01 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.95 128.03 46.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.3 mm -123.23 95.24 45.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 142.56 48.61 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -56.46 -24.21 44.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.84 156.99 27.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 113.33 -20.7 18.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.33 179.94 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m -84.23 117.7 23.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.29 165.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.87 106.94 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 95.14 6.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.45 42.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.69 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.61 121.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -110.48 126.36 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -122.0 110.15 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.69 157.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.47 -44.31 55.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.64 -48.85 58.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.89 -50.23 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -41.9 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.63 -47.13 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -19.97 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.91 -26.14 13.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 63.96 26.77 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -149.54 112.59 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -103.34 -27.22 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.49 24.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -98.21 92.31 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -62.45 135.81 95.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.519 0.676 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -14.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -118.58 -6.64 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.43 80.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.01 113.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.79 102.58 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.12 92.17 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -111.29 157.0 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.71 -22.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.47 -2.81 56.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.78 39.06 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -121.37 116.07 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.9 p -93.51 31.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -179.77 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.17 89.19 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -67.55 -168.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -37.9 82.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -164.01 126.03 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.4 mtp -103.31 163.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.26 133.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.7 140.67 29.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.5 t -55.33 150.67 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.02 19.48 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -117.78 112.1 19.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -87.81 8.57 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.58 -59.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.62 56.13 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.35 123.73 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -87.66 139.92 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -135.97 165.2 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -81.93 115.33 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -65.71 -20.12 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 69.0 m -91.02 -29.72 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.2 m -104.36 13.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.0 mt -93.26 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.3 mm -119.47 115.58 33.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.656 0.741 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.11 69.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -52.76 -29.11 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.63 160.58 64.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 116.12 4.42 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 98.62 -18.71 56.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.76 -173.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.8 124.18 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.8 164.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.79 124.14 40.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.5 t -101.0 98.61 8.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.22 46.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.384 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.57 128.03 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -120.43 140.37 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.61 125.49 28.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.9 p -58.04 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.47 -46.66 87.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.25 -59.18 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 79.8 m -63.88 -38.83 92.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.1 -56.29 17.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.67 -42.39 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -23.81 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -28.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -174.73 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.71 -175.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -111.5 34.96 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -26.4 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.87 92.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.61 136.17 63.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.57 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.55 -9.93 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.45 80.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 112.69 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.41 108.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 91.27 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.3 pt -58.95 -21.98 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.34 -3.8 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 p 52.8 39.13 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -126.27 115.46 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.4 p -94.25 30.98 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -179.08 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.93 88.51 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.1 p-10 -69.66 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.87 -39.0 80.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.56 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -163.75 126.81 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 mtp -103.28 156.29 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.3 tt -141.99 137.36 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.77 148.43 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.69 152.21 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.67 19.23 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -115.08 116.06 27.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -25.3 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -87.65 7.25 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.25 -61.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 54.0 41.72 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.44 128.35 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.27 147.52 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -146.8 157.04 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -72.89 121.42 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.6 -46.09 77.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.21 -20.27 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 43.8 m -90.96 -32.32 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.56 13.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.62 100.68 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.3 mm -111.5 121.79 39.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.653 0.74 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.51 62.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -51.83 -29.29 18.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -135.73 160.67 66.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.711 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.28 -17.95 53.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -172.93 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 124.5 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.85 165.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.46 127.48 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 158' ' ' PRO . 3.5 p -105.75 93.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.732 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 54.0 Cg_endo -69.74 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.8 p -99.27 124.36 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -123.27 140.13 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -134.21 125.11 27.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.6 p -57.47 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.83 -46.3 82.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -50.72 -58.75 5.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 43.0 m -63.06 -38.63 91.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.08 -43.32 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.09 -47.11 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -18.06 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -88.43 -39.23 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -179.05 55.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -137.76 97.48 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.28 32.7 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.0 p -171.73 84.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.35 89.85 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.76 153.34 72.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.23 24.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.381 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -17.75 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.26 86.6 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 109.55 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.5 108.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 91.76 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.6 158.12 17.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 pt -58.88 -22.25 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.15 -3.71 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p 54.75 36.58 26.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 115.84 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 37.7 p -94.04 31.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.5 mtp -87.52 -179.96 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.15 87.96 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.42 -169.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -38.92 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.581 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.15 126.34 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.08 158.76 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.5 tt -150.08 137.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -88.12 151.73 22.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.55 151.07 47.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.37 19.72 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -115.9 110.81 19.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -21.86 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.07 11.45 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -61.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 53.93 53.04 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.54 132.42 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -95.41 138.03 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -136.57 165.29 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -80.4 117.99 21.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -54.8 -45.13 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -60.75 -22.7 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.84 -33.71 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.51 13.33 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.61 99.23 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.4 mm -110.74 119.76 45.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.79 63.67 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.626 2.217 . . . . 0.0 112.373 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -29.51 20.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -137.0 160.74 64.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.9 -18.9 56.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -173.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 123.62 30.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.18 163.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.14 123.85 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.6 p -106.5 93.14 7.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 160.4 49.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.6 p -94.26 115.32 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -108.27 136.47 47.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.34 109.02 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.76 157.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.4 -42.2 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -50.05 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 89.7 m -73.12 -49.3 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -42.38 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.16 -46.96 39.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 m -61.83 -19.26 62.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.67 -27.32 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -99.16 23.94 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.19 85.1 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -120.88 109.48 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.91 107.44 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 91.63 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.8 t -110.84 157.22 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.2 pt -59.1 -22.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 p -83.41 -3.73 57.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.46 38.28 27.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -126.8 115.68 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.9 p -94.23 31.39 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 180.0 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.55 88.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.2 p-10 -70.48 -169.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -39.13 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.58 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.2 t -163.78 126.17 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.0 mtp -101.3 159.48 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.33 136.44 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -92.01 145.49 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.17 151.54 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.642 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.39 19.45 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -118.05 112.55 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.98 -24.02 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -86.25 6.09 31.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.09 -59.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 51.85 53.16 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 18.6 m -115.65 125.51 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -89.96 143.62 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -142.9 158.93 43.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 16.2 m-70 -76.96 114.33 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -51.52 -42.2 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.25 -31.03 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.61 -34.1 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.2 m -99.61 14.16 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.854 HD21 HG22 ' A' ' 157' ' ' VAL . 6.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.854 HG22 HD21 ' A' ' 146' ' ' LEU . 46.4 t -102.76 94.91 5.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.0 Cg_endo -69.68 163.59 37.64 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.41 2.1 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.642 HG13 ' HG3' ' A' ' 132' ' ' GLU . 78.2 t -105.97 125.76 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.18 126.89 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -121.95 121.26 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.4 p -56.07 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.02 -47.17 86.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.1 mt -51.38 -58.49 6.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 81.8 m -63.62 -40.09 96.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.89 0.376 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.35 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -118.4 109.44 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.44 ' HB ' HG22 ' A' ' 122' ' ' THR . 20.7 t -81.5 107.99 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.5 91.62 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.6 157.23 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.6 pt -59.01 -21.98 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -83.43 -4.07 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.46 38.14 27.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -126.09 115.45 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.44 HG22 ' HB ' ' A' ' 115' ' ' VAL . 47.4 p -94.49 31.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.3 mtp -86.63 -179.56 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.23 87.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.1 p-10 -69.03 -169.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -38.2 77.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.647 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.9 t -163.93 125.34 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.76 159.55 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.18 134.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -87.62 144.1 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.3 t -59.62 150.53 27.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.654 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -90.6 20.78 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -58.52 -22.76 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -91.6 13.61 17.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.92 -60.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 52.4 60.43 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 8.6 m -122.53 125.71 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -88.27 141.82 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -140.24 159.63 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.443 ' O ' HG22 ' A' ' 145' ' ' VAL . 14.4 m-70 -77.03 113.86 15.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.82 -41.83 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.45 -30.54 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.6 m -78.17 -34.19 49.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.3 m -99.55 14.15 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 157' ' ' VAL . 6.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 46.3 t -102.74 94.87 5.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.77 163.47 38.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.24 2.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -105.65 125.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.424 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -116.33 140.55 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -133.76 124.98 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.57 -175.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.88 -46.66 88.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.65 -59.36 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 59.3 m -64.27 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.89 85.52 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -116.76 107.54 14.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 139' ' ' TRP . 19.2 t -81.88 107.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 91.42 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.84 157.79 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.7 pt -58.79 -22.64 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.75 -4.13 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 p 53.92 37.63 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.62 115.99 19.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 115' ' ' VAL . 20.8 p -94.29 31.41 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.02 179.7 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.49 77.77 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.564 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -59.86 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.61 -38.77 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.564 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.79 127.02 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.8 mtp -103.97 162.05 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.09 136.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -90.03 143.87 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.441 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -58.63 150.46 23.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -90.18 20.36 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -115.26 110.76 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -23.41 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 11.81 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.88 -61.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 52.66 62.41 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.9 m -124.59 124.6 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.448 ' HB2' HG22 ' A' ' 115' ' ' VAL . 18.8 m95 -87.42 145.68 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -145.89 154.46 41.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 145' ' ' VAL . 14.8 m-70 -71.51 113.86 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.5 -41.73 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.76 -31.36 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.13 -34.02 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 141' ' ' HIS . 14.9 m -99.5 13.76 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 157' ' ' VAL . 6.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.924 0.392 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 146' ' ' LEU . 47.4 t -103.45 94.11 5.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.4 Cg_endo -69.7 164.85 32.95 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.648 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.6 p -106.69 126.02 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -117.52 141.97 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -134.04 125.26 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.59 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.6 -46.94 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.38 -59.56 4.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.25 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.2 81.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -116.87 108.5 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 122' ' ' THR . 17.2 t -82.28 106.96 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.84 91.37 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.92 157.89 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.0 pt -59.05 -22.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.63 -3.05 57.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.37 38.05 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 115.49 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 115' ' ' VAL . 26.3 p -94.36 31.88 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.48 179.29 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -91.43 77.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.5 p-10 -60.14 -169.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -39.35 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.587 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -164.76 126.18 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 26.8 mtp -103.2 160.69 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.15 138.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.73 145.62 24.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.91 152.86 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.06 16.85 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.3 117.23 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -22.32 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -87.23 8.59 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 -58.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 51.41 51.93 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.4 m -114.57 125.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -89.79 146.12 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -145.76 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 145' ' ' VAL . 9.7 m-70 -75.18 114.91 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.9 -42.08 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.85 -29.98 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.2 m -78.38 -35.2 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 161' ' ' PHE . 17.3 m -97.16 11.76 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.821 HD21 HG22 ' A' ' 157' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.57 98.35 9.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.02 36.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.46 2.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.66 128.96 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -111.05 138.09 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.46 121.92 22.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.21 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.53 -47.0 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.26 -59.09 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.5 m -66.12 -26.29 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.38 85.09 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -117.59 109.44 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 122' ' ' THR . 19.3 t -81.3 104.99 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.67 92.14 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.29 157.67 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 pt -59.07 -21.72 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.1 -2.88 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p 54.59 36.94 27.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 t -123.63 116.14 22.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 115' ' ' VAL . 58.3 p -93.99 31.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 mtp -88.36 -179.56 6.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.8 87.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.638 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.8 p-10 -69.46 -169.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -38.41 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.638 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.79 125.61 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.83 160.68 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.5 tt -150.04 132.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.99 138.75 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.431 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.7 t -53.14 150.46 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.638 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.57 19.8 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -117.4 111.48 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.84 -22.62 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -88.86 10.13 22.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.75 -59.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.07 59.7 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -122.75 122.89 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.05 138.94 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.0 165.2 25.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 145' ' ' VAL . 8.9 m-70 -83.64 113.98 21.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.86 -41.35 70.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.01 -24.84 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.97 -32.12 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 141' ' ' HIS . 13.1 m -101.93 14.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.834 HD21 HG22 ' A' ' 157' ' ' VAL . 3.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 146' ' ' LEU . 43.6 t -102.25 96.63 7.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.6 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.375 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -44.33 2.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.616 2.21 . . . . 0.0 112.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.7 p -105.16 127.87 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -120.14 140.48 51.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.72 124.47 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.63 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.13 -46.73 87.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.09 -59.14 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.67 -36.92 85.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.82 83.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -112.81 107.76 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 122' ' ' THR . 20.9 t -80.99 108.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 91.67 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.88 156.58 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -59.39 -21.26 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -84.0 -4.13 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.6 p 52.8 39.23 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -125.93 115.12 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.491 ' HA ' HG11 ' A' ' 115' ' ' VAL . 30.3 p -94.54 31.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.22 179.93 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.1 88.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.0 p-10 -70.06 -168.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -38.72 86.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.595 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.15 126.52 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 17.2 mtp -101.47 162.63 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.16 137.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -89.94 146.41 24.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.18 151.97 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.09 17.44 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -115.65 113.01 22.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -23.84 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.31 8.05 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -59.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.57 50.22 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.88 126.64 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -91.09 144.51 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -143.09 162.8 34.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.484 ' O ' HG22 ' A' ' 145' ' ' VAL . 23.5 m-70 -78.05 121.37 24.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 146' ' ' LEU . 9.7 mt -54.12 -42.63 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -63.94 -19.87 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.5 m -91.22 -31.63 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.6 m -101.6 12.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.585 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 146' ' ' LEU . 24.0 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.585 HG23 HD21 ' A' ' 146' ' ' LEU . 95.7 t -106.04 94.29 9.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.5 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.2 p -97.48 119.67 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.2 t80 -117.13 139.34 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -133.86 121.77 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -56.99 -177.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.78 -46.87 87.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.34 -59.12 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.7 -39.34 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.25 84.85 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -118.0 109.5 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.63 105.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.43 91.86 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.49 157.69 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -58.94 -21.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.56 -4.07 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.8 p 54.38 37.55 27.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.5 t -125.96 112.82 16.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.6 p -76.93 -4.52 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.2 mtp -54.87 134.48 48.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.9 t -65.37 89.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 127' ' ' SER . 7.3 p-10 -60.59 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -56.47 -37.06 69.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.432 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.2 OUTLIER -163.6 128.09 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.1 mtt -102.27 167.01 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.39 128.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -83.56 139.7 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.4 t -55.41 151.6 9.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.645 ' HG3' HG23 ' A' ' 160' ' ' VAL . 1.3 mm-40 -89.11 18.9 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -116.28 111.52 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -58.95 -22.35 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -89.44 10.4 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.12 -60.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 52.33 57.42 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.51 123.31 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -86.06 147.27 26.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -143.5 165.22 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -80.55 116.48 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 146' ' ' LEU . 6.7 mt -54.64 -45.39 73.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.66 -22.43 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.3 m -88.54 -32.17 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.535 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.45 13.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.53 94.14 8.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.577 0.703 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.78 159.93 51.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.54 2.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.8 p -97.48 124.04 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.535 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.2 t80 -126.14 142.19 51.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -134.12 124.01 25.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.3 p -57.45 -175.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.49 -47.12 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.7 mt -51.35 -57.82 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 60.3 m -67.2 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.37 84.82 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -113.69 106.72 14.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.402 ' O ' HG22 ' A' ' 122' ' ' THR . 17.5 t -81.89 107.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.16 91.59 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.23 157.85 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 pt -58.95 -22.85 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.25 -2.91 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p 53.18 38.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.84 115.45 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' VAL . 25.1 p -94.55 31.97 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -86.58 179.84 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.73 77.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.1 p-10 -60.08 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.85 -39.82 69.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.561 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.87 126.39 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.5 mtp -103.74 160.62 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.19 138.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.71 146.08 24.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 138' ' ' VAL . 43.6 t -58.45 152.68 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.14 17.52 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -118.17 116.77 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -22.54 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -86.82 8.19 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -58.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 51.62 54.67 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 131' ' ' CYS . 9.4 m -117.81 126.53 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -90.28 145.3 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -144.76 158.84 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 145' ' ' VAL . 8.4 m-70 -75.49 114.66 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.1 -41.26 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.68 -30.05 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 141' ' ' HIS . 35.0 m -78.49 -34.0 47.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 161' ' ' PHE . 16.3 m -98.3 11.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 157' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.55 98.43 9.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.96 36.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.17 128.52 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.48 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.2 t80 -110.96 138.45 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -133.45 122.52 23.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.64 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.89 -46.87 87.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.94 -59.23 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.7 -30.54 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.21 84.24 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -116.88 108.76 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 122' ' ' THR . 19.6 t -81.37 105.07 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.94 92.17 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 t -107.57 157.52 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 pt -58.9 -21.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.01 -3.68 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 p 55.64 35.95 26.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.77 115.97 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 115' ' ' VAL . 32.1 p -94.03 31.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -179.85 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.48 86.9 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.636 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.7 p-10 -68.83 -169.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.79 -38.51 78.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.636 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.8 125.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.52 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.25 134.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.63 140.06 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.445 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.8 t -54.68 151.16 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.64 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.85 19.64 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -117.08 111.39 19.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -22.71 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.15 10.05 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.1 t -127.06 -59.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.64 57.36 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.5 m -120.26 123.33 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -86.98 139.24 30.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -135.18 165.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 145' ' ' VAL . 9.4 m-70 -83.26 114.24 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.73 -42.35 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -63.59 -22.15 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 58.3 m -87.97 -32.25 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.9 m -101.9 14.07 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 157' ' ' VAL . 2.7 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 146' ' ' LEU . 41.3 t -102.76 95.56 6.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.3 Cg_endo -69.77 161.29 46.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.307 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.46 2.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.64 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.1 p -105.02 125.83 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 145' ' ' VAL . 19.5 t80 -118.8 140.89 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.91 125.86 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.81 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.14 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.34 -59.56 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 67.6 m -63.56 -37.92 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.61 89.53 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -120.97 111.57 17.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 122' ' ' THR . 24.8 t -81.58 109.67 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -132.17 91.48 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.4 t -111.23 156.75 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.1 pt -59.09 -22.35 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -82.34 -4.93 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 p 53.28 38.43 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.96 116.16 21.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.496 ' HA ' HG11 ' A' ' 115' ' ' VAL . 24.9 p -93.47 29.68 1.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ptm -79.89 179.86 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.04 80.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.457 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.4 p-10 -61.34 -166.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.457 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -165.4 132.16 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.73 166.48 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.28 132.06 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -86.79 141.15 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 44.9 t -54.61 152.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.688 ' CD ' HG12 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -89.12 17.27 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -117.02 116.73 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.56 -22.66 66.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -87.65 8.85 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -59.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.02 56.24 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.4 m -118.79 124.19 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -86.99 147.91 25.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -146.7 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -72.78 115.27 11.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.56 -40.42 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -63.9 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 29.4 m -76.15 -35.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 161' ' ' PHE . 27.1 m -94.69 8.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.837 HD21 HG22 ' A' ' 157' ' ' VAL . 4.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 1.3 tm-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 146' ' ' LEU . 43.7 t -100.5 99.93 11.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.28 35.19 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.688 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.3 m -112.49 133.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 145' ' ' VAL . 12.1 t80 -117.49 139.46 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -133.27 122.94 24.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.8 p -58.16 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.5 -46.54 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.54 -59.01 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.97 -38.85 92.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.859 0.362 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.03 82.86 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -121.8 111.73 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 122' ' ' THR . 19.4 t -81.48 107.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.51 91.71 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.89 157.36 19.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.5 pt -59.2 -21.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -84.31 -3.19 58.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.82 38.94 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 117.12 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.43 ' HA ' HG11 ' A' ' 115' ' ' VAL . 27.3 p -94.39 31.39 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.1 ptp -82.91 -179.49 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -97.6 79.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.9 p-10 -60.12 -169.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -37.98 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.597 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.5 127.41 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.5 mtp -103.74 161.95 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.15 140.32 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -91.99 147.55 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.82 151.7 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.65 ' HG3' HG23 ' A' ' 160' ' ' VAL . 2.4 mm-40 -88.38 16.11 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -113.62 112.11 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -23.94 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -87.25 8.19 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.52 -59.1 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.76 48.72 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.75 127.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -91.79 144.1 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.02 164.89 28.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 145' ' ' VAL . 23.2 m-70 -80.76 122.19 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 146' ' ' LEU . 10.1 mt -54.41 -42.47 70.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.32 -19.67 65.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 32.4 m -91.27 -31.16 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 161' ' ' PHE . 14.4 m -102.13 12.09 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 146' ' ' LEU . 41.7 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.615 HG23 HD21 ' A' ' 146' ' ' LEU . 97.0 t -105.79 93.98 8.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.8 Cg_endo -69.78 159.7 52.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.36 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.65 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.0 p -98.83 120.69 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.8 t80 -114.16 139.36 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -133.8 119.43 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.02 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.98 -47.29 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.19 -59.04 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.75 -26.0 68.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.64 86.85 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.14 109.83 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.35 106.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.28 91.86 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.02 157.74 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.0 pt -59.09 -22.19 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.5 p -84.54 -2.64 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.9 p 53.77 37.97 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.7 t -124.33 116.04 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -93.95 31.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 mtp -87.62 -179.61 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.5 87.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.19 -169.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -38.76 80.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.791 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.632 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.5 t -164.08 125.81 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.67 159.85 14.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.0 tt -150.14 133.14 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -86.38 138.64 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.8 t -53.04 149.95 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.737 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -89.05 19.53 4.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -117.2 110.96 18.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -22.29 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -88.4 10.82 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 -59.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 51.88 61.28 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.8 m -124.53 124.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -86.02 139.34 31.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -136.03 165.15 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.4 m170 -82.53 112.3 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.6 -28.93 70.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.01 -34.64 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.5 m -98.84 13.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 157' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 146' ' ' LEU . 43.5 t -102.05 97.38 8.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.78 162.56 41.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.737 HG23 ' CG ' ' A' ' 132' ' ' GLU . 4.5 p -107.18 128.04 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 145' ' ' VAL . 23.4 t80 -115.88 141.03 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -133.4 115.81 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' CYS . . . . . 0.534 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.7 p -48.55 160.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -50.67 -45.38 58.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.534 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.12 -48.41 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 90.5 m -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.0 81.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -119.08 109.84 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.68 104.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 92.06 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -108.71 157.63 18.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 30.1 pt -59.07 -21.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.32 -1.5 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 p 52.48 38.83 26.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.45 110.78 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.5 p -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 40.3 mtm -57.61 -177.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 128' ' ' MET . 17.9 t -113.33 96.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -61.53 -166.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -32.25 70.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.7 126.22 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 124' ' ' VAL . 29.1 mtp -104.73 164.6 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.9 tt -150.27 135.98 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -90.07 145.84 24.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.9 151.73 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.625 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -88.43 18.69 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -117.4 114.43 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -22.95 64.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -87.39 7.54 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 -59.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.63 52.09 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -114.26 126.06 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -90.71 141.84 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -138.33 165.36 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.694 ' O ' HG22 ' A' ' 145' ' ' VAL . 7.5 m-70 -81.27 116.5 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.23 -30.78 66.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -75.97 -21.04 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.5 m -91.77 -25.95 18.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.1 m -104.15 13.9 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.768 HD21 HG22 ' A' ' 157' ' ' VAL . 4.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.768 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -102.07 97.51 8.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.0 39.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.54 2.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 132' ' ' GLU . 71.8 t -104.0 123.98 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -114.6 126.65 55.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -121.4 120.74 35.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.1 p -56.57 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.16 -47.08 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.22 -58.8 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 69.3 m -65.81 -26.84 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.76 82.94 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -115.53 107.96 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.66 105.22 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.13 91.99 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.69 157.55 18.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.4 pt -58.84 -22.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.0 p -84.67 -1.74 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.52 38.34 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.1 t -123.1 115.37 21.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.7 p -93.83 30.94 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -179.8 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 86.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.7 p-10 -68.07 -168.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -39.42 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.428 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -164.16 126.0 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 44.7 mtp -102.33 162.85 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.4 tt -150.4 133.18 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -87.96 142.42 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 48.6 t -56.13 151.15 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG13 ' A' ' 160' ' ' VAL . 1.3 mm-40 -88.89 19.8 3.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -119.19 112.36 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -22.57 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -87.41 8.4 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -59.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 51.22 60.73 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.9 m -123.52 124.15 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -87.72 141.93 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -138.57 165.07 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 145' ' ' VAL . 59.1 m170 -82.13 113.47 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.49 -41.98 73.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -64.52 -22.46 66.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 65.1 m -87.69 -30.85 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 141' ' ' HIS . 11.5 m -103.03 13.84 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.821 HD21 HG22 ' A' ' 157' ' ' VAL . 2.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 146' ' ' LEU . 33.7 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.916 0.388 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 40.5 t -102.71 96.06 7.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.78 162.01 43.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.69 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.648 HG13 ' HG3' ' A' ' 132' ' ' GLU . 75.7 t -104.95 129.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 145' ' ' VAL . 13.4 t80 -121.02 126.57 50.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -120.81 121.93 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.14 -176.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.42 -46.84 88.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.5 mt -51.86 -58.4 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 78.1 m -66.43 -28.74 68.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.48 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -116.91 108.53 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 122' ' ' THR . 20.3 t -82.11 105.59 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -126.61 91.98 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.58 157.99 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 42.4 pt -59.27 -21.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -85.18 -3.07 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.8 p 54.73 36.73 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.32 115.59 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 115' ' ' VAL . 43.2 p -94.28 31.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.07 179.98 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.75 87.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.3 p-10 -69.19 -169.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -37.73 76.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.652 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.8 t -163.73 124.52 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.47 159.21 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.4 tt -150.25 137.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -92.62 147.22 23.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.3 151.99 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.635 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -89.16 18.36 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -116.83 113.52 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.21 -24.12 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -85.91 5.19 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -59.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 53.05 49.28 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.27 126.62 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -92.11 144.53 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -143.33 165.09 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 145' ' ' VAL . 14.4 m-70 -82.11 117.17 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.48 -42.73 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.75 -23.95 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.8 m -85.4 -32.58 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.484 HG11 ' HE1' ' A' ' 161' ' ' PHE . 14.6 m -101.06 13.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.739 HD21 ' HB ' ' A' ' 157' ' ' VAL . 4.4 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.931 0.396 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.739 ' HB ' HD21 ' A' ' 146' ' ' LEU . 4.2 p -98.75 102.97 16.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.82 36.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.635 HG13 ' HG3' ' A' ' 132' ' ' GLU . 70.2 t -102.78 124.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.484 ' HE1' HG11 ' A' ' 145' ' ' VAL . 10.8 t80 -114.87 127.04 55.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.06 119.44 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 11.5 p -55.36 -179.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.54 -47.49 81.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.56 -58.95 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 76.8 m -62.94 -39.23 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -118.79 88.17 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -119.99 109.94 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.29 105.94 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 92.08 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.8 t -108.73 156.93 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.7 pt -59.23 -21.05 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.0 p -85.72 -2.83 58.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p 53.91 37.63 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.65 115.4 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p -94.05 30.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -178.57 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.32 89.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -69.13 -164.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.93 -36.17 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 126.88 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.9 mtp -106.25 165.01 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.4 tt -150.2 136.03 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.446 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.9 t -53.58 150.85 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.638 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.76 19.66 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -117.15 111.05 18.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -22.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -89.34 10.29 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.2 t -127.2 -60.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 53.08 57.65 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.8 m -121.08 122.65 68.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -86.15 139.88 30.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -134.06 165.65 24.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 145' ' ' VAL . 42.0 m170 -83.21 113.52 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.16 -34.45 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.3 -20.34 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.8 m -91.23 -27.56 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.8 m -104.52 13.49 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 157' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 27.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 42.2 t -102.97 95.29 6.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.76 160.52 49.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.2 p -104.02 126.3 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -119.24 140.29 50.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -133.9 125.74 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.78 -175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.43 -46.84 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.25 -59.58 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.8 m -63.63 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.33 84.41 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -118.19 106.87 13.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 20.2 t -81.68 106.65 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.35 92.04 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.0 t -107.03 157.84 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.13 -21.96 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.3 p -85.12 -2.48 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p 54.07 37.55 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -124.59 115.55 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 115' ' ' VAL . 50.9 p -94.09 31.15 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.1 mtp -87.81 -179.92 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.53 86.42 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -68.37 -169.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -39.02 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.626 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.7 t -164.02 125.21 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.6 159.84 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.21 134.45 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.62 146.47 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.427 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.5 t -63.54 150.33 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.659 ' HG3' HG13 ' A' ' 160' ' ' VAL . 3.8 mm-40 -90.68 22.43 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -115.43 110.72 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -23.54 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.32 16.16 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -62.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 52.37 60.09 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -120.41 127.46 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -89.42 140.51 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.14 165.23 27.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 145' ' ' VAL . 8.7 m-70 -81.76 113.64 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.49 -42.66 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.33 -28.06 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 46.5 m -80.98 -34.63 32.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.7 m -98.68 14.01 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.825 HD21 HG22 ' A' ' 157' ' ' VAL . 6.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.825 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -103.48 95.14 6.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.45 42.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.69 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 132' ' ' GLU . 79.3 t -102.61 121.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -110.48 126.36 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -122.0 110.15 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.69 157.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.47 -44.31 55.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.64 -48.85 58.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.89 -50.23 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.43 80.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.01 113.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.79 102.58 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.12 92.17 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -111.29 157.0 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.71 -22.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.47 -2.81 56.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.78 39.06 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -121.37 116.07 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.9 p -93.51 31.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -179.77 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.17 89.19 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -67.55 -168.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -37.9 82.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -164.01 126.03 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.4 mtp -103.31 163.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.26 133.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.7 140.67 29.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -55.33 150.67 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.631 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.02 19.48 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -117.78 112.1 19.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -87.81 8.57 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.58 -59.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.62 56.13 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.35 123.73 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -87.66 139.92 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -135.97 165.2 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 145' ' ' VAL . 60.9 m170 -81.93 115.33 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -65.71 -20.12 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 69.0 m -91.02 -29.72 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.2 m -104.36 13.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.847 HD21 HG22 ' A' ' 157' ' ' VAL . 2.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.503 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.366 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.847 HG22 HD21 ' A' ' 146' ' ' LEU . 42.5 t -101.0 98.61 8.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.2 Cg_endo -69.71 161.22 46.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.384 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.631 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -106.57 128.03 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -120.43 140.37 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.61 125.49 28.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.9 p -58.04 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.47 -46.66 87.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.25 -59.18 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 79.8 m -63.88 -38.83 92.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.45 80.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 112.69 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.7 t -81.41 108.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 91.27 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.3 pt -58.95 -21.98 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.34 -3.8 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 p 52.8 39.13 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -126.27 115.46 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.457 ' HA ' HG11 ' A' ' 115' ' ' VAL . 29.4 p -94.25 30.98 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -179.08 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.93 88.51 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.604 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.1 p-10 -69.66 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.87 -39.0 80.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.604 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -163.75 126.81 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 mtp -103.28 156.29 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.3 tt -141.99 137.36 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.77 148.43 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.69 152.21 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.651 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -89.67 19.23 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -115.08 116.06 27.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -25.3 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -87.65 7.25 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.25 -61.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 54.0 41.72 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.44 128.35 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.27 147.52 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -146.8 157.04 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -72.89 121.42 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 146' ' ' LEU . 7.3 mt -55.6 -46.09 77.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.21 -20.27 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 43.8 m -90.96 -32.32 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.56 13.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.561 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.75 93.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.732 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 54.0 Cg_endo -69.74 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.651 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.8 p -99.27 124.36 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 145' ' ' VAL . 11.4 t80 -123.27 140.13 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -134.21 125.11 27.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.6 p -57.47 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.83 -46.3 82.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -50.72 -58.75 5.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 43.0 m -63.06 -38.63 91.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.26 86.6 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 109.55 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.3 t -81.5 108.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 91.76 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.6 158.12 17.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 pt -58.88 -22.25 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.15 -3.71 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p 54.75 36.58 26.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 115.84 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.407 ' HA ' HG11 ' A' ' 115' ' ' VAL . 37.7 p -94.04 31.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.5 mtp -87.52 -179.96 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.15 87.96 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.42 -169.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -38.92 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.634 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.15 126.34 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.08 158.76 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.5 tt -150.08 137.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.12 151.73 22.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.55 151.07 47.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.674 ' HG3' HG23 ' A' ' 160' ' ' VAL . 17.3 mm-40 -89.37 19.72 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -115.9 110.81 19.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -21.86 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.07 11.45 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -61.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 53.93 53.04 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.54 132.42 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -95.41 138.03 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -136.57 165.29 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 16.8 m-70 -80.4 117.99 21.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 146' ' ' LEU . 8.8 mt -54.8 -45.13 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.75 -22.7 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.84 -33.71 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.7 m -99.51 13.33 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.6 p -106.5 93.14 7.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 160.4 49.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.674 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.6 p -94.26 115.32 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.518 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.6 t80 -108.27 136.47 47.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.34 109.02 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.1 p -47.76 157.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.4 -42.2 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.98 -50.05 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 89.7 m -73.12 -49.3 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -160.33 -57.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -130.87 28.67 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 25.18 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -99.49 92.32 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.46 153.88 89.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.59 35.89 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -23.32 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.19 85.1 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -120.88 109.48 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.91 107.44 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 91.63 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.8 t -110.84 157.22 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.2 pt -59.1 -22.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 p -83.41 -3.73 57.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.46 38.28 27.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -126.8 115.68 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.9 p -94.23 31.39 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 180.0 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.55 88.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.2 p-10 -70.48 -169.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -39.13 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.58 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.2 t -163.78 126.17 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.0 mtp -101.3 159.48 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.33 136.44 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -92.01 145.49 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.17 151.54 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.642 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.39 19.45 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -118.05 112.55 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.98 -24.02 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -86.25 6.09 31.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.09 -59.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 51.85 53.16 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 18.6 m -115.65 125.51 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -89.96 143.62 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -142.9 158.93 43.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 32.4 m170 -76.96 114.33 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -51.52 -42.2 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.25 -31.03 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.61 -34.1 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.2 m -99.61 14.16 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 155' ' ' ALA . 6.1 mt -100.88 128.42 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.564 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.22 90.62 45.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.9 Cg_endo -69.77 143.95 52.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.3 -20.24 52.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -149.35 160.59 34.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 115.85 4.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 83.46 14.03 74.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.6 -173.22 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 106.78 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -60.95 161.0 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -95.93 101.92 13.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.854 HG22 HD21 ' A' ' 146' ' ' LEU . 46.4 t -102.76 94.91 5.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.0 Cg_endo -69.68 163.59 37.64 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.41 2.1 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.642 HG13 ' HG3' ' A' ' 132' ' ' GLU . 78.2 t -105.97 125.76 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.18 126.89 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -121.95 121.26 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.4 p -56.07 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.02 -47.17 86.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.1 mt -51.38 -58.49 6.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 81.8 m -63.62 -40.09 96.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -50.53 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.36 -44.81 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -23.98 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -26.47 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.26 31.63 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m 72.1 -69.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 110.925 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -96.5 32.27 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -26.32 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -69.52 92.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 13.8 mm100 -86.92 153.73 54.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -24.24 30.03 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -116.64 -19.29 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -117.35 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -118.4 109.44 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.44 ' HB ' HG22 ' A' ' 122' ' ' THR . 20.7 t -81.5 107.99 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.5 91.62 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.6 157.23 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.6 pt -59.01 -21.98 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -83.43 -4.07 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.46 38.14 27.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -126.09 115.45 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.44 HG22 ' HB ' ' A' ' 115' ' ' VAL . 47.4 p -94.49 31.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.3 mtp -86.63 -179.56 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.23 87.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.1 p-10 -69.03 -169.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -38.2 77.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.647 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.9 t -163.93 125.34 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.76 159.55 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.18 134.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -87.62 144.1 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.3 t -59.62 150.53 27.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.654 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -90.6 20.78 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -58.52 -22.76 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -91.6 13.61 17.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.92 -60.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 52.4 60.43 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 8.6 m -122.53 125.71 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -88.27 141.82 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -140.24 159.63 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.443 ' O ' HG22 ' A' ' 145' ' ' VAL . 33.9 m170 -77.03 113.86 15.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.82 -41.83 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.45 -30.54 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.6 m -78.17 -34.19 49.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.3 m -99.55 14.15 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.914 HD22 ' HB1' ' A' ' 155' ' ' ALA . 6.0 mt -100.08 128.6 46.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.25 90.68 45.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 111.158 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.7 Cg_endo -69.79 143.79 51.81 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.75 -20.62 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -148.89 160.61 34.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 115.79 4.25 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.23 74.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.87 -173.03 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.16 107.42 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.914 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -61.64 160.75 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -96.82 102.78 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 46.3 t -102.74 94.87 5.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.77 163.47 38.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.24 2.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -105.65 125.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.424 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -116.33 140.55 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -133.76 124.98 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.57 -175.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.88 -46.66 88.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.65 -59.36 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 59.3 m -64.27 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -56.53 18.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.2 -35.83 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.9 t -64.91 -26.42 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -99.09 -22.68 15.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 63.82 36.11 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -160.23 148.64 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -112.83 27.53 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 25.71 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.02 92.22 6.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 13.8 mm100 -84.72 153.75 61.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.69 29.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.18 -18.31 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -116.89 85.52 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -116.76 107.54 14.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 139' ' ' TRP . 19.2 t -81.88 107.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 91.42 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.84 157.79 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.7 pt -58.79 -22.64 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.75 -4.13 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 p 53.92 37.63 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.62 115.99 19.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 115' ' ' VAL . 20.8 p -94.29 31.41 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.02 179.7 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.49 77.77 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.564 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -59.86 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.61 -38.77 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.564 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.79 127.02 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.8 mtp -103.97 162.05 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.09 136.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -90.03 143.87 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.441 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -58.63 150.46 23.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -90.18 20.36 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -115.26 110.76 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -23.41 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 11.81 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.88 -61.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 52.66 62.41 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.9 m -124.59 124.6 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.448 ' HB2' HG22 ' A' ' 115' ' ' VAL . 18.8 m95 -87.42 145.68 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -145.89 154.46 41.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.4 m170 -71.51 113.86 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.5 -41.73 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.76 -31.36 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.13 -34.02 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 141' ' ' HIS . 14.9 m -99.5 13.76 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 157' ' ' VAL . 6.4 mt -100.29 132.1 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.62 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.2 mm -123.78 90.48 50.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 54.3 Cg_endo -69.7 147.39 63.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -14.13 60.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 151' ' ' PRO . 18.8 ptmt -168.3 154.42 6.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 150' ' ' LYS . 54.0 Cg_endo -69.75 116.76 4.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 114.12 -23.94 12.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.66 179.84 7.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.9 m -84.93 115.45 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.726 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -52.86 165.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -90.7 102.56 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 146' ' ' LEU . 47.4 t -103.45 94.11 5.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.4 Cg_endo -69.7 164.85 32.95 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.648 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.6 p -106.69 126.02 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -117.52 141.97 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -134.04 125.26 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.59 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.6 -46.94 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.38 -59.56 4.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.25 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.85 -54.44 38.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.34 -42.95 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -24.53 67.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.73 -27.48 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.24 -22.62 52.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 t -173.07 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -54.02 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.13 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.63 92.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.65 153.97 87.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -20.28 34.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.58 -23.04 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.2 81.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -116.87 108.5 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 122' ' ' THR . 17.2 t -82.28 106.96 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.84 91.37 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.92 157.89 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.0 pt -59.05 -22.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.63 -3.05 57.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.37 38.05 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 115.49 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 115' ' ' VAL . 26.3 p -94.36 31.88 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.48 179.29 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -91.43 77.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.5 p-10 -60.14 -169.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -39.35 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.587 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -164.76 126.18 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 26.8 mtp -103.2 160.69 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.15 138.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.73 145.62 24.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.91 152.86 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.06 16.85 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.3 117.23 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -22.32 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -87.23 8.59 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 -58.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 51.41 51.93 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.4 m -114.57 125.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -89.79 146.12 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -145.76 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.0 m170 -75.18 114.91 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.9 -42.08 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.85 -29.98 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.2 m -78.38 -35.2 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 161' ' ' PHE . 17.3 m -97.16 11.76 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.9 mt -97.16 114.45 26.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.548 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.5 mm -119.11 110.71 37.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.63 51.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -51.84 -29.83 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -137.49 161.03 62.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.85 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.295 . . . . 0.0 112.358 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.71 62.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -172.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.62 123.19 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.09 165.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.2 113.92 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.57 98.35 9.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.02 36.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.46 2.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.66 128.96 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -111.05 138.09 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.46 121.92 22.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.21 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.53 -47.0 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.26 -59.09 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.5 m -66.12 -26.29 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -49.74 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.15 -30.52 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 42.7 t -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -93.88 -23.27 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.77 32.02 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.3 p -95.58 51.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.34 -27.25 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 p -111.66 25.05 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.54 92.38 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 15.2 mm100 -71.55 153.98 93.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -23.06 31.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -20.28 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -119.38 85.09 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -117.59 109.44 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 122' ' ' THR . 19.3 t -81.3 104.99 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.67 92.14 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.29 157.67 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 pt -59.07 -21.72 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.1 -2.88 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p 54.59 36.94 27.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 t -123.63 116.14 22.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 115' ' ' VAL . 58.3 p -93.99 31.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 mtp -88.36 -179.56 6.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.8 87.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.638 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.8 p-10 -69.46 -169.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -38.41 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.638 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.79 125.61 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.83 160.68 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.5 tt -150.04 132.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.99 138.75 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.431 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.7 t -53.14 150.46 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.638 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.57 19.8 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -117.4 111.48 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.84 -22.62 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -88.86 10.13 22.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.75 -59.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.07 59.7 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -122.75 122.89 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.05 138.94 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.0 165.2 25.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.1 m170 -83.64 113.98 21.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.86 -41.35 70.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.01 -24.84 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.97 -32.12 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 141' ' ' HIS . 13.1 m -101.93 14.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.896 HD22 ' HB1' ' A' ' 155' ' ' ALA . 3.2 mt -95.45 118.47 32.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.588 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -121.0 108.01 37.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.09 56.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -51.63 -33.56 33.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.7 160.87 57.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 115.98 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.76 54.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -75.68 -169.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.54 123.75 33.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.896 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.21 165.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.91 113.87 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 146' ' ' LEU . 43.6 t -102.25 96.63 7.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.6 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.375 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -44.33 2.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.616 2.21 . . . . 0.0 112.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.7 p -105.16 127.87 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -120.14 140.48 51.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.72 124.47 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.63 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.13 -46.73 87.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.09 -59.14 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.67 -36.92 85.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -56.69 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.05 -34.16 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 t -65.59 -26.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -100.6 -22.1 15.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 59.3 28.13 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.18 132.79 35.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -128.68 -46.04 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 p -166.43 47.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.36 90.82 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.77 153.42 71.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.66 28.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -108.23 -28.8 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.82 83.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -112.81 107.76 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 122' ' ' THR . 20.9 t -80.99 108.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 91.67 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.88 156.58 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -59.39 -21.26 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -84.0 -4.13 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.6 p 52.8 39.23 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -125.93 115.12 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.491 ' HA ' HG11 ' A' ' 115' ' ' VAL . 30.3 p -94.54 31.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.22 179.93 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.1 88.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.0 p-10 -70.06 -168.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -38.72 86.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.595 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.15 126.52 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 17.2 mtp -101.47 162.63 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.16 137.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -89.94 146.41 24.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.18 151.97 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.09 17.44 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -115.65 113.01 22.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -23.84 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.31 8.05 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -59.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.57 50.22 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.88 126.64 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -91.09 144.51 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -143.09 162.8 34.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.484 ' O ' HG22 ' A' ' 145' ' ' VAL . 27.1 m170 -78.05 121.37 24.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 146' ' ' LEU . 9.7 mt -54.12 -42.63 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -63.94 -19.87 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.5 m -91.22 -31.63 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.6 m -101.6 12.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.585 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -86.69 116.25 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.98 131.22 23.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.64 60.83 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.69 -24.49 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -137.17 160.94 63.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.87 4.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.776 2.317 . . . . 0.0 112.345 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 97.88 -19.24 55.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -169.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.64 165.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 146' ' ' LEU . 24.0 tt0 -144.62 145.05 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.585 HG23 HD21 ' A' ' 146' ' ' LEU . 95.7 t -106.04 94.29 9.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.5 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.2 p -97.48 119.67 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.2 t80 -117.13 139.34 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -133.86 121.77 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -56.99 -177.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.78 -46.87 87.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.34 -59.12 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.7 -39.34 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -41.95 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 172' ' ' ASP . 5.6 mt -77.71 -37.03 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -71.9 -15.15 62.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -33.98 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -114.89 -58.56 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.681 ' HA ' HD23 ' A' ' 168' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 108' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 t 72.13 -69.26 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -107.42 30.38 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 105' ' ' GLY . 13.3 p -152.29 46.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -80.24 90.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.08 153.47 73.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -27.93 25.75 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.731 2.288 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -20.65 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.25 84.85 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -118.0 109.5 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.63 105.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.43 91.86 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.49 157.69 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -58.94 -21.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.56 -4.07 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.8 p 54.38 37.55 27.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.5 t -125.96 112.82 16.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.6 p -76.93 -4.52 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.2 mtp -54.87 134.48 48.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.9 t -65.37 89.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 127' ' ' SER . 7.3 p-10 -60.59 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -56.47 -37.06 69.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.432 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.2 OUTLIER -163.6 128.09 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.1 mtt -102.27 167.01 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.39 128.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -83.56 139.7 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.4 t -55.41 151.6 9.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.645 ' HG3' HG23 ' A' ' 160' ' ' VAL . 1.3 mm-40 -89.11 18.9 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -116.28 111.52 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -58.95 -22.35 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -89.44 10.4 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.12 -60.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 52.33 57.42 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.51 123.31 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -86.06 147.27 26.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -143.5 165.22 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -80.55 116.48 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 146' ' ' LEU . 6.7 mt -54.64 -45.39 73.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.66 -22.43 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.3 m -88.54 -32.17 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.535 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.45 13.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER -95.3 101.04 12.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.432 HD13 ' C ' ' A' ' 146' ' ' LEU . 2.3 mm -111.8 120.88 41.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.676 0.751 . . . . 0.0 111.099 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 148.69 65.22 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.92 -29.52 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.9 160.81 64.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.24 4.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.55 -17.36 59.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -173.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 p -83.7 123.91 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.92 165.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.02 125.74 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.53 94.14 8.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.577 0.703 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.78 159.93 51.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.54 2.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.8 p -97.48 124.04 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.535 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.2 t80 -126.14 142.19 51.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -134.12 124.01 25.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.3 p -57.45 -175.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.49 -47.12 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.7 mt -51.35 -57.82 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 60.3 m -67.2 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -52.47 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.3 mt -72.37 -35.15 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 11.6 t -69.67 -27.75 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -95.54 -23.49 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.76 27.44 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.5 p -169.7 39.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -26.66 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.1 25.54 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -94.66 92.19 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 13.9 mm100 -85.34 153.68 59.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.38 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.52 -18.19 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -119.37 84.82 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -113.69 106.72 14.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' O ' HG22 ' A' ' 122' ' ' THR . 17.5 t -81.89 107.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.16 91.59 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.23 157.85 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 pt -58.95 -22.85 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.25 -2.91 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p 53.18 38.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.84 115.45 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' VAL . 25.1 p -94.55 31.97 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -86.58 179.84 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.73 77.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.1 p-10 -60.08 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.85 -39.82 69.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.561 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.87 126.39 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.5 mtp -103.74 160.62 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.19 138.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.71 146.08 24.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 138' ' ' VAL . 43.6 t -58.45 152.68 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.14 17.52 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -118.17 116.77 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -22.54 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -86.82 8.19 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -58.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 51.62 54.67 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 131' ' ' CYS . 9.4 m -117.81 126.53 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -90.28 145.3 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -144.76 158.84 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.2 m170 -75.49 114.66 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.1 -41.26 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.68 -30.05 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 141' ' ' HIS . 35.0 m -78.49 -34.0 47.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 161' ' ' PHE . 16.3 m -98.3 11.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 155' ' ' ALA . 3.0 mt -96.88 115.62 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -119.62 109.85 37.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 111.08 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.53 57.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.645 2.23 . . . . 0.0 112.398 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -33.2 30.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.73 160.93 56.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.92 4.32 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 101.36 -17.44 55.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -76.04 -169.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.16 124.9 34.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -50.75 165.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -115.06 113.39 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.55 98.43 9.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.96 36.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.17 128.52 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.48 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.2 t80 -110.96 138.45 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -133.45 122.52 23.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.64 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.89 -46.87 87.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.94 -59.23 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.7 -30.54 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 0.4 OUTLIER -59.47 -52.98 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.74 -22.64 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 21.0 t -79.89 -19.22 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -111.11 -24.75 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -110.02 -44.43 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m 52.78 70.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.12 10.53 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.18 60.76 2.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -114.5 91.47 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.74 153.91 89.31 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.09 31.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -19.62 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.21 84.24 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -116.88 108.76 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 122' ' ' THR . 19.6 t -81.37 105.07 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.94 92.17 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 t -107.57 157.52 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 pt -58.9 -21.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.01 -3.68 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 p 55.64 35.95 26.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.77 115.97 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 115' ' ' VAL . 32.1 p -94.03 31.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -179.85 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.48 86.9 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.636 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.7 p-10 -68.83 -169.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.79 -38.51 78.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.636 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.8 125.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.52 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.25 134.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.63 140.06 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.445 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.8 t -54.68 151.16 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.64 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.85 19.64 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -117.08 111.39 19.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -22.71 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.15 10.05 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.1 t -127.06 -59.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.64 57.36 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.5 m -120.26 123.33 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -86.98 139.24 30.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -135.18 165.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 145' ' ' VAL . 45.4 m170 -83.26 114.24 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.73 -42.35 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -63.59 -22.15 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 58.3 m -87.97 -32.25 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.9 m -101.9 14.07 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.891 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.7 mt -94.87 115.75 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.584 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -121.02 111.32 34.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.693 0.759 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 149.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -53.7 -27.7 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.36 160.86 63.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.89 4.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.26 10.99 70.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.09 -172.78 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.355 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.15 117.55 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.891 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.65 165.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 7.1 tt0 -118.74 115.76 25.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 146' ' ' LEU . 41.3 t -102.76 95.56 6.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.3 Cg_endo -69.77 161.29 46.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.307 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.46 2.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.64 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.1 p -105.02 125.83 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 145' ' ' VAL . 19.5 t80 -118.8 140.89 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.91 125.86 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.81 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.14 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.34 -59.56 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 67.6 m -63.56 -37.92 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.7 -55.07 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.3 -42.61 88.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -24.49 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -93.56 -28.03 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.38 26.06 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -154.58 96.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.15 -30.89 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -26.45 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.75 92.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 14.9 mm100 -61.27 154.16 64.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.542 0.686 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.4 32.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.41 -20.33 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -119.61 89.53 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -120.97 111.57 17.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 122' ' ' THR . 24.8 t -81.58 109.67 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -132.17 91.48 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.4 t -111.23 156.75 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.1 pt -59.09 -22.35 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -82.34 -4.93 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 p 53.28 38.43 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.96 116.16 21.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.496 ' HA ' HG11 ' A' ' 115' ' ' VAL . 24.9 p -93.47 29.68 1.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ptm -79.89 179.86 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.04 80.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.457 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.4 p-10 -61.34 -166.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.457 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -165.4 132.16 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.73 166.48 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.28 132.06 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -86.79 141.15 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 44.9 t -54.61 152.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.688 ' CD ' HG12 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -89.12 17.27 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -117.02 116.73 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.56 -22.66 66.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -87.65 8.85 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -59.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.02 56.24 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.4 m -118.79 124.19 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -86.99 147.91 25.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -146.7 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -72.78 115.27 11.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.56 -40.42 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -63.9 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 29.4 m -76.15 -35.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 161' ' ' PHE . 27.1 m -94.69 8.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.874 HD22 ' HB1' ' A' ' 155' ' ' ALA . 4.0 mt -97.22 120.4 37.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.591 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -120.96 105.07 40.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.8 Cg_endo -69.77 139.0 39.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -51.72 -31.08 24.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -138.27 160.81 62.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.91 4.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.311 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.93 -20.95 48.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -177.78 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.4 m -80.69 120.61 24.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.874 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.63 164.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 1.3 tm-20 -111.3 112.61 24.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 146' ' ' LEU . 43.7 t -100.5 99.93 11.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.28 35.19 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.688 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.3 m -112.49 133.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 145' ' ' VAL . 12.1 t80 -117.49 139.46 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -133.27 122.94 24.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.8 p -58.16 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.5 -46.54 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.54 -59.01 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.97 -38.85 92.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -54.24 -52.98 59.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 172' ' ' ASP . 7.5 mt -66.74 -43.58 83.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -24.61 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.69 -26.85 16.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -178.11 -66.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.609 ' HA ' HD23 ' A' ' 168' ' ' LEU . 38.5 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.68 123.34 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -126.78 26.97 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.5 p -177.2 84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.28 89.77 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -58.74 153.39 42.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.691 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.61 37.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.0 -25.44 9.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.03 82.86 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -121.8 111.73 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 122' ' ' THR . 19.4 t -81.48 107.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.51 91.71 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.89 157.36 19.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.5 pt -59.2 -21.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -84.31 -3.19 58.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.82 38.94 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 117.12 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.43 ' HA ' HG11 ' A' ' 115' ' ' VAL . 27.3 p -94.39 31.39 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.1 ptp -82.91 -179.49 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -97.6 79.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.9 p-10 -60.12 -169.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -37.98 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.597 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.5 127.41 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.5 mtp -103.74 161.95 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.15 140.32 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -91.99 147.55 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.82 151.7 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.65 ' HG3' HG23 ' A' ' 160' ' ' VAL . 2.4 mm-40 -88.38 16.11 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -113.62 112.11 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -23.94 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -87.25 8.19 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.52 -59.1 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.76 48.72 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.75 127.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -91.79 144.1 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.02 164.89 28.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 145' ' ' VAL . 27.1 m170 -80.76 122.19 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 146' ' ' LEU . 10.1 mt -54.41 -42.47 70.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.32 -19.67 65.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 32.4 m -91.27 -31.16 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 161' ' ' PHE . 14.4 m -102.13 12.09 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -86.08 99.73 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.5 mm -116.7 130.9 24.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.26 44.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.18 -31.09 18.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 158.23 71.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.74 31.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.36 -17.8 54.49 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.94 -172.14 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.19 131.35 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.33 161.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 146' ' ' LEU . 41.7 tt0 -139.33 151.32 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.615 HG23 HD21 ' A' ' 146' ' ' LEU . 97.0 t -105.79 93.98 8.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.8 Cg_endo -69.78 159.7 52.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.36 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.65 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.0 p -98.83 120.69 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.8 t80 -114.16 139.36 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -133.8 119.43 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.02 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.98 -47.29 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.19 -59.04 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.75 -26.0 68.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -50.67 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 12.7 mt -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -34.2 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -88.66 -22.69 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.41 64.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -149.8 67.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -100.29 28.95 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.57 24.52 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -94.87 92.24 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 13.9 mm100 -84.2 153.67 62.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.54 29.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -116.38 -20.83 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -114.64 86.85 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.14 109.83 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.35 106.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.28 91.86 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.02 157.74 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.0 pt -59.09 -22.19 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.5 p -84.54 -2.64 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.9 p 53.77 37.97 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.7 t -124.33 116.04 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -93.95 31.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 mtp -87.62 -179.61 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.5 87.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.19 -169.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -38.76 80.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.791 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.632 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.5 t -164.08 125.81 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.67 159.85 14.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.0 tt -150.14 133.14 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -86.38 138.64 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.8 t -53.04 149.95 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.737 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -89.05 19.53 4.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -117.2 110.96 18.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -22.29 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -88.4 10.82 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 -59.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 51.88 61.28 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.8 m -124.53 124.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -86.02 139.34 31.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -136.03 165.15 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.4 m170 -82.53 112.3 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.6 -28.93 70.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.01 -34.64 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.5 m -98.84 13.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.873 HD22 ' HB1' ' A' ' 155' ' ' ALA . 3.0 mt -96.6 116.75 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.571 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.06 109.33 37.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.77 55.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.39 -32.31 25.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -140.3 160.93 57.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.94 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.88 58.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -75.62 -171.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.55 123.79 32.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.873 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.01 165.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -115.46 114.19 24.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 146' ' ' LEU . 43.5 t -102.05 97.38 8.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.78 162.56 41.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.737 HG23 ' CG ' ' A' ' 132' ' ' GLU . 4.5 p -107.18 128.04 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 145' ' ' VAL . 23.4 t80 -115.88 141.03 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -133.4 115.81 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' CYS . . . . . 0.534 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.7 p -48.55 160.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -50.67 -45.38 58.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.534 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.12 -48.41 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 90.5 m -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -35.03 79.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.23 -35.69 19.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 9.4 p -75.55 -19.63 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -111.77 -24.44 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.08 34.48 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 123.11 26.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.21 -42.95 4.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.6 p -109.5 84.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -108.1 89.78 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -60.69 153.36 63.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.76 37.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.25 -26.25 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.0 81.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -119.08 109.84 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.68 104.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 92.06 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -108.71 157.63 18.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 30.1 pt -59.07 -21.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.32 -1.5 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 p 52.48 38.83 26.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.45 110.78 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.5 p -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 40.3 mtm -57.61 -177.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 128' ' ' MET . 17.9 t -113.33 96.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -61.53 -166.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -32.25 70.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.7 126.22 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 124' ' ' VAL . 29.1 mtp -104.73 164.6 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.9 tt -150.27 135.98 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -90.07 145.84 24.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.9 151.73 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.625 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -88.43 18.69 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -117.4 114.43 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -22.95 64.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -87.39 7.54 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 -59.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.63 52.09 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -114.26 126.06 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -90.71 141.84 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -138.33 165.36 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.694 ' O ' HG22 ' A' ' 145' ' ' VAL . 55.1 m170 -81.27 116.5 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.23 -30.78 66.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -75.97 -21.04 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.5 m -91.77 -25.95 18.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.1 m -104.15 13.9 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.924 HD22 ' HB1' ' A' ' 155' ' ' ALA . 4.7 mt -97.71 128.39 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.2 mm -119.12 92.32 45.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.725 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.5 Cg_endo -69.83 141.71 45.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.12 -24.08 24.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 161.06 33.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.563 0.696 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.88 4.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.46 11.02 69.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.445 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.19 -176.0 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.84 107.95 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.924 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -56.14 159.68 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -101.62 105.17 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.768 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -102.07 97.51 8.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.0 39.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.54 2.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 132' ' ' GLU . 71.8 t -104.0 123.98 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -114.6 126.65 55.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -121.4 120.74 35.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.1 p -56.57 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.16 -47.08 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.22 -58.8 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 69.3 m -65.81 -26.84 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -50.03 61.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.69 -33.17 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.9 t -72.31 -32.92 66.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -89.89 -23.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 59.28 27.89 17.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -94.87 53.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -113.76 30.53 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -175.14 84.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.51 89.84 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -61.65 153.36 71.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.541 0.686 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -27.29 26.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.33 -24.19 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.76 82.94 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -115.53 107.96 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.66 105.22 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.13 91.99 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.69 157.55 18.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.4 pt -58.84 -22.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.0 p -84.67 -1.74 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.52 38.34 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.1 t -123.1 115.37 21.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.7 p -93.83 30.94 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -179.8 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 86.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.7 p-10 -68.07 -168.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -39.42 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.428 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -164.16 126.0 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 44.7 mtp -102.33 162.85 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.4 tt -150.4 133.18 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -87.96 142.42 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 48.6 t -56.13 151.15 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG13 ' A' ' 160' ' ' VAL . 1.3 mm-40 -88.89 19.8 3.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -119.19 112.36 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -22.57 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -87.41 8.4 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -59.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 51.22 60.73 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.9 m -123.52 124.15 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -87.72 141.93 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -138.57 165.07 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 145' ' ' VAL . 59.1 m170 -82.13 113.47 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.49 -41.98 73.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -64.52 -22.46 66.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 65.1 m -87.69 -30.85 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 141' ' ' HIS . 11.5 m -103.03 13.84 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.928 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.4 mt -95.26 112.63 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.566 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.5 mm -120.42 112.77 34.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.47 69.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -27.83 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -136.55 161.22 63.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.88 4.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 86.71 11.36 71.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.51 -172.24 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.69 118.09 18.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.928 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.23 165.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 146' ' ' LEU . 33.7 tt0 -122.66 116.47 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 40.5 t -102.71 96.06 7.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.78 162.01 43.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.69 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.648 HG13 ' HG3' ' A' ' 132' ' ' GLU . 75.7 t -104.95 129.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 145' ' ' VAL . 13.4 t80 -121.02 126.57 50.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -120.81 121.93 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.14 -176.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.42 -46.84 88.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.5 mt -51.86 -58.4 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 78.1 m -66.43 -28.74 68.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -52.09 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.69 -34.18 69.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 11.2 t -70.89 -30.66 67.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -92.08 -23.2 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.53 26.15 15.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 m 61.1 82.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -56.2 5.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.45 25.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.45 92.35 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.72 154.17 91.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.66 35.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.38 -21.86 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.48 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -116.91 108.53 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 122' ' ' THR . 20.3 t -82.11 105.59 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -126.61 91.98 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.58 157.99 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 42.4 pt -59.27 -21.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -85.18 -3.07 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.8 p 54.73 36.73 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.32 115.59 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 115' ' ' VAL . 43.2 p -94.28 31.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.07 179.98 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.75 87.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.3 p-10 -69.19 -169.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -37.73 76.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.652 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.8 t -163.73 124.52 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.47 159.21 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.4 tt -150.25 137.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -92.62 147.22 23.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.3 151.99 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.635 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -89.16 18.36 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -116.83 113.52 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.21 -24.12 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -85.91 5.19 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -59.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 53.05 49.28 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.27 126.62 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -92.11 144.53 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -143.33 165.09 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.6 m170 -82.11 117.17 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.48 -42.73 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.75 -23.95 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.8 m -85.4 -32.58 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.484 HG11 ' HE1' ' A' ' 161' ' ' PHE . 14.6 m -101.06 13.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.739 HD21 ' HB ' ' A' ' 157' ' ' VAL . 4.4 mt -100.8 121.43 41.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.583 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.64 106.55 39.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.156 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.9 Cg_endo -69.74 139.97 41.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.49 -30.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 160.84 61.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.88 4.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.39 -18.44 57.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -172.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 m -85.06 119.63 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.607 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.76 160.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.79 104.27 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.739 ' HB ' HD21 ' A' ' 146' ' ' LEU . 4.2 p -98.75 102.97 16.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.82 36.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.635 HG13 ' HG3' ' A' ' 132' ' ' GLU . 70.2 t -102.78 124.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.484 ' HE1' HG11 ' A' ' 145' ' ' VAL . 10.8 t80 -114.87 127.04 55.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.06 119.44 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 11.5 p -55.36 -179.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.54 -47.49 81.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.56 -58.95 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 76.8 m -62.94 -39.23 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -50.95 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 172' ' ' ASP . 7.6 mt -67.04 -43.41 82.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -24.64 67.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -25.23 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -178.2 -67.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.626 ' HA ' HD23 ' A' ' 168' ' ' LEU . 8.7 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -144.71 79.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.93 -54.96 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.4 p -115.48 84.55 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -108.24 89.78 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -61.65 153.33 71.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -26.83 27.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.8 -22.19 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -118.79 88.17 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -119.99 109.94 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.29 105.94 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 92.08 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.8 t -108.73 156.93 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.7 pt -59.23 -21.05 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.0 p -85.72 -2.83 58.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p 53.91 37.63 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.65 115.4 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p -94.05 30.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -178.57 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.32 89.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -69.13 -164.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.93 -36.17 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 126.88 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.9 mtp -106.25 165.01 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.4 tt -150.2 136.03 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.446 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.9 t -53.58 150.85 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.638 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.76 19.66 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -117.15 111.05 18.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -22.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -89.34 10.29 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.2 t -127.2 -60.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 53.08 57.65 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.8 m -121.08 122.65 68.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -86.15 139.88 30.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -134.06 165.65 24.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 145' ' ' VAL . 42.0 m170 -83.21 113.52 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.16 -34.45 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.3 -20.34 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.8 m -91.23 -27.56 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.8 m -104.52 13.49 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.907 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.9 mt -94.77 115.39 27.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.584 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -120.95 110.78 34.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 149.23 66.64 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -27.85 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.67 161.05 62.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.38 10.95 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -97.91 -172.64 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.49 117.08 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.907 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.63 165.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 27.0 tt0 -118.18 115.68 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 42.2 t -102.97 95.29 6.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.76 160.52 49.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.2 p -104.02 126.3 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -119.24 140.29 50.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -133.9 125.74 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.78 -175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.43 -46.84 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.25 -59.58 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.8 m -63.63 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.17 -55.46 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -23.75 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.813 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -29.26 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.21 -23.71 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -120.8 125.19 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.94 -52.48 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.91 24.59 14.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -96.28 92.31 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 12.7 mm100 -60.79 153.7 62.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.11 27.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.55 -17.98 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -115.33 84.41 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -118.19 106.87 13.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 20.2 t -81.68 106.65 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.35 92.04 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.0 t -107.03 157.84 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.13 -21.96 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.3 p -85.12 -2.48 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p 54.07 37.55 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -124.59 115.55 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 115' ' ' VAL . 50.9 p -94.09 31.15 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.1 mtp -87.81 -179.92 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.53 86.42 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -68.37 -169.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -39.02 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.626 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.7 t -164.02 125.21 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.6 159.84 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.21 134.45 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.62 146.47 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.427 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.5 t -63.54 150.33 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.659 ' HG3' HG13 ' A' ' 160' ' ' VAL . 3.8 mm-40 -90.68 22.43 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -115.43 110.72 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -23.54 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.32 16.16 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -62.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 52.37 60.09 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -120.41 127.46 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -89.42 140.51 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.14 165.23 27.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.0 m170 -81.76 113.64 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.49 -42.66 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.33 -28.06 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 46.5 m -80.98 -34.63 32.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.7 m -98.68 14.01 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.825 HD21 HG22 ' A' ' 157' ' ' VAL . 6.3 mt -99.95 128.03 46.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.609 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -123.23 95.24 45.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 142.56 48.61 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -56.46 -24.21 44.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.84 156.99 27.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 113.33 -20.7 18.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.33 179.94 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m -84.23 117.7 23.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.788 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.29 165.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.87 106.94 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.825 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -103.48 95.14 6.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.45 42.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.69 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 132' ' ' GLU . 79.3 t -102.61 121.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -110.48 126.36 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -122.0 110.15 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.69 157.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.47 -44.31 55.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.64 -48.85 58.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.89 -50.23 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -41.9 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.63 -47.13 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -19.97 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.91 -26.14 13.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 63.96 26.77 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -149.54 112.59 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -103.34 -27.22 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.49 24.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -98.21 92.31 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -62.45 135.81 95.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.519 0.676 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -14.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -118.58 -6.64 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.43 80.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.01 113.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.79 102.58 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.12 92.17 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -111.29 157.0 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.71 -22.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.47 -2.81 56.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.78 39.06 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -121.37 116.07 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.9 p -93.51 31.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -179.77 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.17 89.19 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -67.55 -168.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -37.9 82.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -164.01 126.03 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.4 mtp -103.31 163.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.26 133.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.7 140.67 29.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -55.33 150.67 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.631 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.02 19.48 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -117.78 112.1 19.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -87.81 8.57 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.58 -59.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.62 56.13 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.35 123.73 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -87.66 139.92 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -135.97 165.2 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 145' ' ' VAL . 60.9 m170 -81.93 115.33 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -65.71 -20.12 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 69.0 m -91.02 -29.72 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.2 m -104.36 13.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.847 HD21 HG22 ' A' ' 157' ' ' VAL . 2.0 mt -93.26 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -119.47 115.58 33.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.656 0.741 . . . . 0.0 111.159 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.11 69.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -52.76 -29.11 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.63 160.58 64.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 116.12 4.42 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 98.62 -18.71 56.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.76 -173.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.8 124.18 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.666 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -50.8 164.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.503 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.6 OUTLIER -125.79 124.14 40.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.847 HG22 HD21 ' A' ' 146' ' ' LEU . 42.5 t -101.0 98.61 8.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.2 Cg_endo -69.71 161.22 46.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.384 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.631 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -106.57 128.03 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -120.43 140.37 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.61 125.49 28.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.9 p -58.04 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.47 -46.66 87.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.25 -59.18 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 79.8 m -63.88 -38.83 92.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.1 -56.29 17.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' ' 172' ' ' ASP . 7.1 mt -65.67 -42.39 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -23.81 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -28.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -174.73 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.652 ' HA ' HD23 ' A' ' 168' ' ' LEU . 8.0 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.71 -175.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -111.5 34.96 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -26.4 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.87 92.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.61 136.17 63.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.57 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.55 -9.93 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.45 80.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 112.69 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.7 t -81.41 108.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 91.27 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.3 pt -58.95 -21.98 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.34 -3.8 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 p 52.8 39.13 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -126.27 115.46 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.457 ' HA ' HG11 ' A' ' 115' ' ' VAL . 29.4 p -94.25 30.98 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -179.08 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.93 88.51 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.604 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.1 p-10 -69.66 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.87 -39.0 80.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.604 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -163.75 126.81 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 mtp -103.28 156.29 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.3 tt -141.99 137.36 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.77 148.43 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.69 152.21 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.651 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -89.67 19.23 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -115.08 116.06 27.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -25.3 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -87.65 7.25 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.25 -61.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 54.0 41.72 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.44 128.35 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.27 147.52 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -146.8 157.04 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -72.89 121.42 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 146' ' ' LEU . 7.3 mt -55.6 -46.09 77.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.21 -20.27 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 43.8 m -90.96 -32.32 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.56 13.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.561 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER -94.62 100.68 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 146' ' ' LEU . 2.3 mm -111.5 121.79 39.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.653 0.74 . . . . 0.0 111.147 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.51 62.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -51.83 -29.29 18.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -135.73 160.67 66.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.711 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.28 -17.95 53.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -172.93 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 124.5 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.85 165.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.46 127.48 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.75 93.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.732 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 54.0 Cg_endo -69.74 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.651 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.8 p -99.27 124.36 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 145' ' ' VAL . 11.4 t80 -123.27 140.13 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -134.21 125.11 27.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.6 p -57.47 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.83 -46.3 82.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -50.72 -58.75 5.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 43.0 m -63.06 -38.63 91.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.08 -43.32 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 172' ' ' ASP . 1.7 mt -70.09 -47.11 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -18.06 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -88.43 -39.23 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -179.05 55.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.637 ' HA ' HD23 ' A' ' 168' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -137.76 97.48 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.28 32.7 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.0 p -171.73 84.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.35 89.85 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 41.3 mm-40 -61.76 153.34 72.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.23 24.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.381 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -17.75 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -121.26 86.6 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 109.55 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.3 t -81.5 108.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 91.76 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.6 158.12 17.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 pt -58.88 -22.25 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.15 -3.71 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p 54.75 36.58 26.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 115.84 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.407 ' HA ' HG11 ' A' ' 115' ' ' VAL . 37.7 p -94.04 31.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.5 mtp -87.52 -179.96 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.15 87.96 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.42 -169.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -38.92 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.634 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.15 126.34 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.08 158.76 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.5 tt -150.08 137.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.12 151.73 22.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.55 151.07 47.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.674 ' HG3' HG23 ' A' ' 160' ' ' VAL . 17.3 mm-40 -89.37 19.72 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -115.9 110.81 19.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -21.86 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.07 11.45 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -61.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 53.93 53.04 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.54 132.42 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -95.41 138.03 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -136.57 165.29 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 31.9 m170 -80.4 117.99 21.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 146' ' ' LEU . 8.8 mt -54.8 -45.13 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.75 -22.7 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.84 -33.71 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.7 m -99.51 13.33 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER -95.61 99.23 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.416 HD13 ' C ' ' A' ' 146' ' ' LEU . 2.4 mm -110.74 119.76 45.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.79 63.67 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.626 2.217 . . . . 0.0 112.373 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -29.51 20.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -137.0 160.74 64.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.9 -18.9 56.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -173.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 123.62 30.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.18 163.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.14 123.85 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.6 p -106.5 93.14 7.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 160.4 49.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.674 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.6 p -94.26 115.32 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.518 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.6 t80 -108.27 136.47 47.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.34 109.02 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.1 p -47.76 157.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.4 -42.2 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.98 -50.05 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 89.7 m -73.12 -49.3 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -42.38 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.16 -46.96 39.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 m -61.83 -19.26 62.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.67 -27.32 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -99.16 23.94 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.19 85.1 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -120.88 109.48 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.91 107.44 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 91.63 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.8 t -110.84 157.22 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.2 pt -59.1 -22.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 p -83.41 -3.73 57.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.46 38.28 27.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -126.8 115.68 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.9 p -94.23 31.39 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 180.0 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.55 88.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.2 p-10 -70.48 -169.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -39.13 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.58 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.2 t -163.78 126.17 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.0 mtp -101.3 159.48 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.33 136.44 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -92.01 145.49 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.17 151.54 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.642 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.39 19.45 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -118.05 112.55 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.98 -24.02 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -86.25 6.09 31.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.09 -59.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 51.85 53.16 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 18.6 m -115.65 125.51 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -89.96 143.62 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -142.9 158.93 43.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 32.4 m170 -76.96 114.33 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -51.52 -42.2 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.25 -31.03 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.61 -34.1 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.2 m -99.61 14.16 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.854 HD21 HG22 ' A' ' 157' ' ' VAL . 6.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.854 HG22 HD21 ' A' ' 146' ' ' LEU . 46.4 t -102.76 94.91 5.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.0 Cg_endo -69.68 163.59 37.64 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.41 2.1 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.642 HG13 ' HG3' ' A' ' 132' ' ' GLU . 78.2 t -105.97 125.76 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.18 126.89 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -121.95 121.26 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.4 p -56.07 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.02 -47.17 86.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.1 mt -51.38 -58.49 6.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 81.8 m -63.62 -40.09 96.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.89 0.376 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.35 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -118.4 109.44 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.44 ' HB ' HG22 ' A' ' 122' ' ' THR . 20.7 t -81.5 107.99 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.5 91.62 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.6 157.23 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.6 pt -59.01 -21.98 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -83.43 -4.07 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.46 38.14 27.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -126.09 115.45 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.44 HG22 ' HB ' ' A' ' 115' ' ' VAL . 47.4 p -94.49 31.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.3 mtp -86.63 -179.56 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.23 87.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.1 p-10 -69.03 -169.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -38.2 77.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.647 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.9 t -163.93 125.34 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.76 159.55 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.18 134.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -87.62 144.1 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.3 t -59.62 150.53 27.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.654 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -90.6 20.78 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.76 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -91.6 13.61 17.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.92 -60.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 52.4 60.43 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 8.6 m -122.53 125.71 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -88.27 141.82 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -140.24 159.63 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.443 ' O ' HG22 ' A' ' 145' ' ' VAL . 33.9 m170 -77.03 113.86 15.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.82 -41.83 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.45 -30.54 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.6 m -78.17 -34.19 49.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.3 m -99.55 14.15 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 157' ' ' VAL . 6.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 46.3 t -102.74 94.87 5.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.77 163.47 38.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.24 2.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -105.65 125.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.424 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -116.33 140.55 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -133.76 124.98 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.57 -175.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.88 -46.66 88.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.65 -59.36 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 59.3 m -64.27 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.89 85.52 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -116.76 107.54 14.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 139' ' ' TRP . 19.2 t -81.88 107.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 91.42 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.84 157.79 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.7 pt -58.79 -22.64 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.75 -4.13 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 p 53.92 37.63 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.62 115.99 19.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 115' ' ' VAL . 20.8 p -94.29 31.41 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.02 179.7 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.49 77.77 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.564 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -59.86 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.61 -38.77 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.564 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.79 127.02 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.8 mtp -103.97 162.05 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.09 136.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -90.03 143.87 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.441 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -58.63 150.46 23.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -90.18 20.36 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -115.26 110.76 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -23.41 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 11.81 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.88 -61.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 52.66 62.41 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.9 m -124.59 124.6 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.448 ' HB2' HG22 ' A' ' 115' ' ' VAL . 18.8 m95 -87.42 145.68 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -145.89 154.46 41.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.4 m170 -71.51 113.86 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.5 -41.73 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.76 -31.36 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.13 -34.02 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 141' ' ' HIS . 14.9 m -99.5 13.76 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 157' ' ' VAL . 6.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.924 0.392 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 146' ' ' LEU . 47.4 t -103.45 94.11 5.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.4 Cg_endo -69.7 164.85 32.95 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.648 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.6 p -106.69 126.02 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -117.52 141.97 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -134.04 125.26 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.59 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.6 -46.94 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.38 -59.56 4.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.25 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.2 81.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -116.87 108.5 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 122' ' ' THR . 17.2 t -82.28 106.96 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.84 91.37 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.92 157.89 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.0 pt -59.05 -22.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.63 -3.05 57.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.37 38.05 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 115.49 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 115' ' ' VAL . 26.3 p -94.36 31.88 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.48 179.29 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -91.43 77.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.5 p-10 -60.14 -169.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -39.35 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.587 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -164.76 126.18 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 26.8 mtp -103.2 160.69 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.15 138.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -91.73 145.62 24.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.91 152.86 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.06 16.85 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.3 117.23 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -22.32 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -87.23 8.59 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 -58.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 51.41 51.93 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.4 m -114.57 125.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -89.79 146.12 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -145.76 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.0 m170 -75.18 114.91 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.9 -42.08 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.85 -29.98 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.2 m -78.38 -35.2 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 161' ' ' PHE . 17.3 m -97.16 11.76 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.821 HD21 HG22 ' A' ' 157' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.57 98.35 9.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.02 36.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.46 2.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.66 128.96 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -111.05 138.09 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.46 121.92 22.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.21 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.53 -47.0 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.26 -59.09 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.5 m -66.12 -26.29 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.38 85.09 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -117.59 109.44 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 122' ' ' THR . 19.3 t -81.3 104.99 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.67 92.14 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.29 157.67 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 pt -59.07 -21.72 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.1 -2.88 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p 54.59 36.94 27.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 t -123.63 116.14 22.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 115' ' ' VAL . 58.3 p -93.99 31.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 mtp -88.36 -179.56 6.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.8 87.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.638 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.8 p-10 -69.46 -169.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -38.41 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.638 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.79 125.61 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.83 160.68 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.5 tt -150.04 132.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.99 138.75 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.431 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.7 t -53.14 150.46 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.638 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.57 19.8 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -117.4 111.48 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.84 -22.62 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -88.86 10.13 22.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.75 -59.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.07 59.7 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -122.75 122.89 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.05 138.94 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.0 165.2 25.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.1 m170 -83.64 113.98 21.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.86 -41.35 70.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.01 -24.84 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.97 -32.12 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 141' ' ' HIS . 13.1 m -101.93 14.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.834 HD21 HG22 ' A' ' 157' ' ' VAL . 3.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 146' ' ' LEU . 43.6 t -102.25 96.63 7.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.6 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.375 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -44.33 2.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.616 2.21 . . . . 0.0 112.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.7 p -105.16 127.87 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -120.14 140.48 51.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.72 124.47 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.63 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.13 -46.73 87.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.09 -59.14 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.67 -36.92 85.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.82 83.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -112.81 107.76 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 122' ' ' THR . 20.9 t -80.99 108.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 91.67 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.88 156.58 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -59.39 -21.26 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -84.0 -4.13 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.6 p 52.8 39.23 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -125.93 115.12 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.491 ' HA ' HG11 ' A' ' 115' ' ' VAL . 30.3 p -94.54 31.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.22 179.93 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.1 88.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.0 p-10 -70.06 -168.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -38.72 86.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.595 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.15 126.52 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 17.2 mtp -101.47 162.63 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.16 137.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -89.94 146.41 24.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.18 151.97 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.09 17.44 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -115.65 113.01 22.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -23.84 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.31 8.05 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -59.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.57 50.22 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.88 126.64 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -91.09 144.51 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -143.09 162.8 34.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.484 ' O ' HG22 ' A' ' 145' ' ' VAL . 27.1 m170 -78.05 121.37 24.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 146' ' ' LEU . 9.7 mt -54.12 -42.63 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -63.94 -19.87 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.5 m -91.22 -31.63 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.6 m -101.6 12.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.585 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 146' ' ' LEU . 24.0 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.585 HG23 HD21 ' A' ' 146' ' ' LEU . 95.7 t -106.04 94.29 9.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.5 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.2 p -97.48 119.67 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.2 t80 -117.13 139.34 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -133.86 121.77 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -56.99 -177.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.78 -46.87 87.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.34 -59.12 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.7 -39.34 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.25 84.85 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -118.0 109.5 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.63 105.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.43 91.86 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.49 157.69 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -58.94 -21.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.56 -4.07 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.8 p 54.38 37.55 27.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.5 t -125.96 112.82 16.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.6 p -76.93 -4.52 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.2 mtp -54.87 134.48 48.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.9 t -65.37 89.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 127' ' ' SER . 7.3 p-10 -60.59 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -56.47 -37.06 69.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.432 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.2 OUTLIER -163.6 128.09 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.1 mtt -102.27 167.01 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.39 128.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.56 139.7 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.4 t -55.41 151.6 9.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.645 ' HG3' HG23 ' A' ' 160' ' ' VAL . 1.3 mm-40 -89.11 18.9 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -116.28 111.52 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -58.95 -22.35 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -89.44 10.4 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.12 -60.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 52.33 57.42 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.51 123.31 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -86.06 147.27 26.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -143.5 165.22 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -80.55 116.48 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 146' ' ' LEU . 6.7 mt -54.64 -45.39 73.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.66 -22.43 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.3 m -88.54 -32.17 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.535 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.45 13.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.53 94.14 8.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.577 0.703 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.78 159.93 51.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.54 2.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.8 p -97.48 124.04 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.535 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.2 t80 -126.14 142.19 51.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -134.12 124.01 25.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.3 p -57.45 -175.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.49 -47.12 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.7 mt -51.35 -57.82 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 60.3 m -67.2 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.37 84.82 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -113.69 106.72 14.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.402 ' O ' HG22 ' A' ' 122' ' ' THR . 17.5 t -81.89 107.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.16 91.59 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.23 157.85 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 pt -58.95 -22.85 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.25 -2.91 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p 53.18 38.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.84 115.45 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' VAL . 25.1 p -94.55 31.97 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -86.58 179.84 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.73 77.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.1 p-10 -60.08 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.85 -39.82 69.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.561 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.87 126.39 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.5 mtp -103.74 160.62 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.19 138.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -90.71 146.08 24.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 138' ' ' VAL . 43.6 t -58.45 152.68 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.14 17.52 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -118.17 116.77 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -22.54 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -86.82 8.19 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -58.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 51.62 54.67 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 131' ' ' CYS . 9.4 m -117.81 126.53 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -90.28 145.3 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -144.76 158.84 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.2 m170 -75.49 114.66 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.1 -41.26 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.68 -30.05 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 141' ' ' HIS . 35.0 m -78.49 -34.0 47.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 161' ' ' PHE . 16.3 m -98.3 11.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 157' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.55 98.43 9.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.96 36.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.17 128.52 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.48 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.2 t80 -110.96 138.45 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -133.45 122.52 23.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.64 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.89 -46.87 87.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.94 -59.23 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.7 -30.54 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.21 84.24 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -116.88 108.76 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 122' ' ' THR . 19.6 t -81.37 105.07 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.94 92.17 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 t -107.57 157.52 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 pt -58.9 -21.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.01 -3.68 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 p 55.64 35.95 26.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.77 115.97 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 115' ' ' VAL . 32.1 p -94.03 31.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -179.85 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.48 86.9 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.636 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.7 p-10 -68.83 -169.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.79 -38.51 78.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.636 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.8 125.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.52 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.25 134.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.63 140.06 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.445 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.8 t -54.68 151.16 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.64 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.85 19.64 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -117.08 111.39 19.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -22.71 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.15 10.05 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.1 t -127.06 -59.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.64 57.36 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.5 m -120.26 123.33 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -86.98 139.24 30.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -135.18 165.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 145' ' ' VAL . 45.4 m170 -83.26 114.24 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.73 -42.35 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.59 -22.15 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 58.3 m -87.97 -32.25 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.9 m -101.9 14.07 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 157' ' ' VAL . 2.7 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 146' ' ' LEU . 41.3 t -102.76 95.56 6.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.3 Cg_endo -69.77 161.29 46.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.307 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.46 2.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.64 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.1 p -105.02 125.83 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 145' ' ' VAL . 19.5 t80 -118.8 140.89 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.91 125.86 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.81 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.14 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.34 -59.56 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 67.6 m -63.56 -37.92 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.61 89.53 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -120.97 111.57 17.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 122' ' ' THR . 24.8 t -81.58 109.67 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -132.17 91.48 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.4 t -111.23 156.75 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.1 pt -59.09 -22.35 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -82.34 -4.93 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 p 53.28 38.43 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.96 116.16 21.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.496 ' HA ' HG11 ' A' ' 115' ' ' VAL . 24.9 p -93.47 29.68 1.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ptm -79.89 179.86 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.04 80.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.457 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.4 p-10 -61.34 -166.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.457 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -165.4 132.16 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.73 166.48 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.28 132.06 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.79 141.15 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 44.9 t -54.61 152.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.688 ' CD ' HG12 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -89.12 17.27 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -117.02 116.73 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.56 -22.66 66.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -87.65 8.85 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -59.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.02 56.24 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.4 m -118.79 124.19 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -86.99 147.91 25.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -146.7 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -72.78 115.27 11.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.56 -40.42 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -63.9 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 29.4 m -76.15 -35.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 161' ' ' PHE . 27.1 m -94.69 8.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.837 HD21 HG22 ' A' ' 157' ' ' VAL . 4.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 1.3 tm-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 146' ' ' LEU . 43.7 t -100.5 99.93 11.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.28 35.19 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.688 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.3 m -112.49 133.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 145' ' ' VAL . 12.1 t80 -117.49 139.46 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -133.27 122.94 24.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.8 p -58.16 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.5 -46.54 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.54 -59.01 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.97 -38.85 92.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.859 0.362 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.03 82.86 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -121.8 111.73 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 122' ' ' THR . 19.4 t -81.48 107.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.51 91.71 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.89 157.36 19.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.5 pt -59.2 -21.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -84.31 -3.19 58.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.82 38.94 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 117.12 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.43 ' HA ' HG11 ' A' ' 115' ' ' VAL . 27.3 p -94.39 31.39 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.1 ptp -82.91 -179.49 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -97.6 79.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.9 p-10 -60.12 -169.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -37.98 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.597 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.5 127.41 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.5 mtp -103.74 161.95 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.15 140.32 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.99 147.55 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.82 151.7 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.65 ' HG3' HG23 ' A' ' 160' ' ' VAL . 2.4 mm-40 -88.38 16.11 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -113.62 112.11 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -23.94 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -87.25 8.19 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.52 -59.1 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.76 48.72 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.75 127.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -91.79 144.1 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.02 164.89 28.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 145' ' ' VAL . 27.1 m170 -80.76 122.19 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 146' ' ' LEU . 10.1 mt -54.41 -42.47 70.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.32 -19.67 65.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 32.4 m -91.27 -31.16 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 161' ' ' PHE . 14.4 m -102.13 12.09 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 146' ' ' LEU . 41.7 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.615 HG23 HD21 ' A' ' 146' ' ' LEU . 97.0 t -105.79 93.98 8.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.8 Cg_endo -69.78 159.7 52.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.36 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.65 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.0 p -98.83 120.69 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.8 t80 -114.16 139.36 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -133.8 119.43 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.02 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.98 -47.29 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.19 -59.04 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.75 -26.0 68.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.64 86.85 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.14 109.83 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.35 106.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.28 91.86 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.02 157.74 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.0 pt -59.09 -22.19 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.5 p -84.54 -2.64 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.9 p 53.77 37.97 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.7 t -124.33 116.04 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -93.95 31.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 mtp -87.62 -179.61 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.5 87.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.19 -169.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -38.76 80.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.791 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.632 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.5 t -164.08 125.81 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.67 159.85 14.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.0 tt -150.14 133.14 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -86.38 138.64 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.8 t -53.04 149.95 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.737 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -89.05 19.53 4.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -117.2 110.96 18.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -22.29 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -88.4 10.82 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 -59.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 51.88 61.28 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.8 m -124.53 124.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -86.02 139.34 31.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -136.03 165.15 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.4 m170 -82.53 112.3 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.6 -28.93 70.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.01 -34.64 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.5 m -98.84 13.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 157' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 146' ' ' LEU . 43.5 t -102.05 97.38 8.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.78 162.56 41.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.737 HG23 ' CG ' ' A' ' 132' ' ' GLU . 4.5 p -107.18 128.04 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 145' ' ' VAL . 23.4 t80 -115.88 141.03 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -133.4 115.81 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . 0.534 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.7 p -48.55 160.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -50.67 -45.38 58.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.534 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.12 -48.41 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 90.5 m -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.0 81.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -119.08 109.84 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.68 104.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 92.06 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -108.71 157.63 18.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 30.1 pt -59.07 -21.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.32 -1.5 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 p 52.48 38.83 26.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.45 110.78 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.5 p -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 40.3 mtm -57.61 -177.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 128' ' ' MET . 17.9 t -113.33 96.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -61.53 -166.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -32.25 70.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.7 126.22 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 124' ' ' VAL . 29.1 mtp -104.73 164.6 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.9 tt -150.27 135.98 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -90.07 145.84 24.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.9 151.73 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.625 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -88.43 18.69 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -117.4 114.43 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -22.95 64.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -87.39 7.54 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 -59.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.63 52.09 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -114.26 126.06 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -90.71 141.84 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -138.33 165.36 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.694 ' O ' HG22 ' A' ' 145' ' ' VAL . 55.1 m170 -81.27 116.5 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.23 -30.78 66.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -75.97 -21.04 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.5 m -91.77 -25.95 18.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.1 m -104.15 13.9 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.768 HD21 HG22 ' A' ' 157' ' ' VAL . 4.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.768 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -102.07 97.51 8.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.0 39.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.54 2.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 132' ' ' GLU . 71.8 t -104.0 123.98 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -114.6 126.65 55.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -121.4 120.74 35.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.1 p -56.57 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.16 -47.08 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.22 -58.8 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 69.3 m -65.81 -26.84 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.76 82.94 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -115.53 107.96 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.66 105.22 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.13 91.99 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.69 157.55 18.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.4 pt -58.84 -22.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.0 p -84.67 -1.74 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.52 38.34 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.1 t -123.1 115.37 21.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.7 p -93.83 30.94 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -179.8 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 86.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.7 p-10 -68.07 -168.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -39.42 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.428 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -164.16 126.0 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 44.7 mtp -102.33 162.85 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.4 tt -150.4 133.18 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -87.96 142.42 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 48.6 t -56.13 151.15 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG13 ' A' ' 160' ' ' VAL . 1.3 mm-40 -88.89 19.8 3.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -119.19 112.36 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -22.57 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -87.41 8.4 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -59.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 51.22 60.73 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.9 m -123.52 124.15 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -87.72 141.93 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -138.57 165.07 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 145' ' ' VAL . 59.1 m170 -82.13 113.47 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.49 -41.98 73.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -64.52 -22.46 66.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 65.1 m -87.69 -30.85 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 141' ' ' HIS . 11.5 m -103.03 13.84 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.821 HD21 HG22 ' A' ' 157' ' ' VAL . 2.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 146' ' ' LEU . 33.7 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.916 0.388 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 40.5 t -102.71 96.06 7.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.78 162.01 43.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.69 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.648 HG13 ' HG3' ' A' ' 132' ' ' GLU . 75.7 t -104.95 129.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 145' ' ' VAL . 13.4 t80 -121.02 126.57 50.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -120.81 121.93 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.14 -176.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.42 -46.84 88.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.5 mt -51.86 -58.4 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 78.1 m -66.43 -28.74 68.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.48 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -116.91 108.53 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 122' ' ' THR . 20.3 t -82.11 105.59 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -126.61 91.98 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.58 157.99 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 42.4 pt -59.27 -21.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -85.18 -3.07 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.8 p 54.73 36.73 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.32 115.59 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 115' ' ' VAL . 43.2 p -94.28 31.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.07 179.98 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.75 87.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.3 p-10 -69.19 -169.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -37.73 76.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.652 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.8 t -163.73 124.52 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.47 159.21 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.4 tt -150.25 137.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.62 147.22 23.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.3 151.99 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.635 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -89.16 18.36 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -116.83 113.52 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.21 -24.12 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -85.91 5.19 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -59.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 53.05 49.28 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.27 126.62 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -92.11 144.53 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -143.33 165.09 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.6 m170 -82.11 117.17 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.48 -42.73 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.75 -23.95 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.8 m -85.4 -32.58 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.484 HG11 ' HE1' ' A' ' 161' ' ' PHE . 14.6 m -101.06 13.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.739 HD21 ' HB ' ' A' ' 157' ' ' VAL . 4.4 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.931 0.396 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.739 ' HB ' HD21 ' A' ' 146' ' ' LEU . 4.2 p -98.75 102.97 16.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.82 36.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.635 HG13 ' HG3' ' A' ' 132' ' ' GLU . 70.2 t -102.78 124.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.484 ' HE1' HG11 ' A' ' 145' ' ' VAL . 10.8 t80 -114.87 127.04 55.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.06 119.44 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 11.5 p -55.36 -179.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.54 -47.49 81.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.56 -58.95 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 76.8 m -62.94 -39.23 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -118.79 88.17 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -119.99 109.94 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.29 105.94 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 92.08 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.8 t -108.73 156.93 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.7 pt -59.23 -21.05 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.0 p -85.72 -2.83 58.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p 53.91 37.63 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.65 115.4 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p -94.05 30.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -178.57 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.32 89.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -69.13 -164.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.93 -36.17 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 126.88 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.9 mtp -106.25 165.01 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.4 tt -150.2 136.03 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.446 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.9 t -53.58 150.85 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.638 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.76 19.66 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -117.15 111.05 18.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -22.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -89.34 10.29 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.2 t -127.2 -60.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 53.08 57.65 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.8 m -121.08 122.65 68.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -86.15 139.88 30.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -134.06 165.65 24.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 145' ' ' VAL . 42.0 m170 -83.21 113.52 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.16 -34.45 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.3 -20.34 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.8 m -91.23 -27.56 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.8 m -104.52 13.49 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 157' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 27.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 42.2 t -102.97 95.29 6.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.76 160.52 49.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.2 p -104.02 126.3 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -119.24 140.29 50.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -133.9 125.74 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.78 -175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.43 -46.84 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.25 -59.58 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.8 m -63.63 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.33 84.41 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -118.19 106.87 13.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 20.2 t -81.68 106.65 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.35 92.04 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.0 t -107.03 157.84 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.13 -21.96 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.3 p -85.12 -2.48 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p 54.07 37.55 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -124.59 115.55 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 115' ' ' VAL . 50.9 p -94.09 31.15 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.1 mtp -87.81 -179.92 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.53 86.42 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -68.37 -169.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -39.02 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.626 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.7 t -164.02 125.21 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.6 159.84 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.21 134.45 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -86.62 146.47 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.427 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.5 t -63.54 150.33 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.659 ' HG3' HG13 ' A' ' 160' ' ' VAL . 3.8 mm-40 -90.68 22.43 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -115.43 110.72 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -23.54 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.32 16.16 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -62.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 52.37 60.09 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -120.41 127.46 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -89.42 140.51 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.14 165.23 27.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.0 m170 -81.76 113.64 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.49 -42.66 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.33 -28.06 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 46.5 m -80.98 -34.63 32.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.7 m -98.68 14.01 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.825 HD21 HG22 ' A' ' 157' ' ' VAL . 6.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.825 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -103.48 95.14 6.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.45 42.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.69 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 132' ' ' GLU . 79.3 t -102.61 121.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -110.48 126.36 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -122.0 110.15 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.69 157.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.47 -44.31 55.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.64 -48.85 58.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.89 -50.23 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.43 80.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.01 113.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.79 102.58 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.12 92.17 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -111.29 157.0 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.71 -22.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.47 -2.81 56.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.78 39.06 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -121.37 116.07 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.9 p -93.51 31.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -179.77 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.17 89.19 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -67.55 -168.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -37.9 82.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -164.01 126.03 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.4 mtp -103.31 163.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.26 133.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.7 140.67 29.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -55.33 150.67 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.631 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.02 19.48 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -117.78 112.1 19.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -87.81 8.57 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.58 -59.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.62 56.13 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.35 123.73 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -87.66 139.92 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -135.97 165.2 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 145' ' ' VAL . 60.9 m170 -81.93 115.33 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -65.71 -20.12 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 69.0 m -91.02 -29.72 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.2 m -104.36 13.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.847 HD21 HG22 ' A' ' 157' ' ' VAL . 2.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.503 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.366 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.847 HG22 HD21 ' A' ' 146' ' ' LEU . 42.5 t -101.0 98.61 8.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.2 Cg_endo -69.71 161.22 46.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.384 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.631 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -106.57 128.03 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -120.43 140.37 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.61 125.49 28.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.9 p -58.04 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.47 -46.66 87.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.25 -59.18 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 79.8 m -63.88 -38.83 92.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.45 80.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 112.69 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.7 t -81.41 108.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 91.27 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.3 pt -58.95 -21.98 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.34 -3.8 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 p 52.8 39.13 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -126.27 115.46 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.457 ' HA ' HG11 ' A' ' 115' ' ' VAL . 29.4 p -94.25 30.98 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -179.08 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.93 88.51 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.604 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.1 p-10 -69.66 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.87 -39.0 80.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.604 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -163.75 126.81 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 mtp -103.28 156.29 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.3 tt -141.99 137.36 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.77 148.43 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.69 152.21 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.651 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -89.67 19.23 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -115.08 116.06 27.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -25.3 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -87.65 7.25 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.25 -61.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 54.0 41.72 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.44 128.35 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.27 147.52 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -146.8 157.04 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -72.89 121.42 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 146' ' ' LEU . 7.3 mt -55.6 -46.09 77.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.21 -20.27 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 43.8 m -90.96 -32.32 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.56 13.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.561 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.75 93.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.732 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 54.0 Cg_endo -69.74 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.651 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.8 p -99.27 124.36 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 145' ' ' VAL . 11.4 t80 -123.27 140.13 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -134.21 125.11 27.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.6 p -57.47 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.83 -46.3 82.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -50.72 -58.75 5.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 43.0 m -63.06 -38.63 91.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.26 86.6 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 109.55 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.3 t -81.5 108.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 91.76 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.6 158.12 17.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 pt -58.88 -22.25 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.15 -3.71 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p 54.75 36.58 26.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 115.84 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.407 ' HA ' HG11 ' A' ' 115' ' ' VAL . 37.7 p -94.04 31.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.5 mtp -87.52 -179.96 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.15 87.96 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.42 -169.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -38.92 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.634 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.15 126.34 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.08 158.76 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.5 tt -150.08 137.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -88.12 151.73 22.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.55 151.07 47.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.674 ' HG3' HG23 ' A' ' 160' ' ' VAL . 17.3 mm-40 -89.37 19.72 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -115.9 110.81 19.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -21.86 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.07 11.45 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -61.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 53.93 53.04 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.54 132.42 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -95.41 138.03 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -136.57 165.29 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 31.9 m170 -80.4 117.99 21.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 146' ' ' LEU . 8.8 mt -54.8 -45.13 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -60.75 -22.7 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.84 -33.71 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.7 m -99.51 13.33 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.6 p -106.5 93.14 7.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 160.4 49.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.674 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.6 p -94.26 115.32 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.518 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.6 t80 -108.27 136.47 47.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.34 109.02 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.1 p -47.76 157.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.4 -42.2 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.98 -50.05 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 89.7 m -73.12 -49.3 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -160.33 -57.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -130.87 28.67 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 25.18 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -99.49 92.32 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -73.46 153.88 89.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.59 35.89 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -23.32 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.19 85.1 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -120.88 109.48 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.91 107.44 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 91.63 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.8 t -110.84 157.22 20.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.2 pt -59.1 -22.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 p -83.41 -3.73 57.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.46 38.28 27.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -126.8 115.68 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.9 p -94.23 31.39 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 180.0 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.55 88.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.58 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.2 p-10 -70.48 -169.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -39.13 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.58 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.2 t -163.78 126.17 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.0 mtp -101.3 159.48 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.33 136.44 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -92.01 145.49 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.17 151.54 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.642 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.39 19.45 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -118.05 112.55 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.98 -24.02 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -86.25 6.09 31.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.09 -59.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 51.85 53.16 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 18.6 m -115.65 125.51 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -89.96 143.62 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -142.9 158.93 43.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 32.4 m170 -76.96 114.33 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -51.52 -42.2 61.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.25 -31.03 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.61 -34.1 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.2 m -99.61 14.16 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 155' ' ' ALA . 6.1 mt -100.88 128.42 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.564 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.22 90.62 45.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 111.112 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.9 Cg_endo -69.77 143.95 52.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.3 -20.24 52.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -149.35 160.59 34.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 115.85 4.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 83.46 14.03 74.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.6 -173.22 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 106.78 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -60.95 161.0 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -95.93 101.92 13.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.854 HG22 HD21 ' A' ' 146' ' ' LEU . 46.4 t -102.76 94.91 5.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.0 Cg_endo -69.68 163.59 37.64 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.41 2.1 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.642 HG13 ' HG3' ' A' ' 132' ' ' GLU . 78.2 t -105.97 125.76 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.18 126.89 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -121.95 121.26 36.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.4 p -56.07 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.02 -47.17 86.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.1 mt -51.38 -58.49 6.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 81.8 m -63.62 -40.09 96.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -50.53 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.36 -44.81 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -23.98 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -26.47 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.26 31.63 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m 72.1 -69.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 110.925 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -96.5 32.27 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -26.32 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -69.52 92.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 5.7 mm-40 -86.92 153.73 54.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -24.24 30.03 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -116.64 -19.29 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -117.35 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -118.4 109.44 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.44 ' HB ' HG22 ' A' ' 122' ' ' THR . 20.7 t -81.5 107.99 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.5 91.62 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.6 157.23 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.6 pt -59.01 -21.98 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -83.43 -4.07 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.46 38.14 27.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -126.09 115.45 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.44 HG22 ' HB ' ' A' ' 115' ' ' VAL . 47.4 p -94.49 31.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.3 mtp -86.63 -179.56 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.23 87.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.1 p-10 -69.03 -169.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -38.2 77.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.647 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.9 t -163.93 125.34 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.76 159.55 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.3 tt -150.18 134.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -87.62 144.1 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.3 t -59.62 150.53 27.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.654 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -90.6 20.78 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -22.76 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -91.6 13.61 17.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.92 -60.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 52.4 60.43 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 8.6 m -122.53 125.71 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -88.27 141.82 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -140.24 159.63 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.443 ' O ' HG22 ' A' ' 145' ' ' VAL . 33.9 m170 -77.03 113.86 15.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.82 -41.83 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.45 -30.54 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 35.6 m -78.17 -34.19 49.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.3 m -99.55 14.15 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.914 HD22 ' HB1' ' A' ' 155' ' ' ALA . 6.0 mt -100.08 128.6 46.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.25 90.68 45.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 111.158 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.7 Cg_endo -69.79 143.79 51.81 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.75 -20.62 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -148.89 160.61 34.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 115.79 4.25 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.23 74.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.87 -173.03 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.16 107.42 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.914 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -61.64 160.75 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -96.82 102.78 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 46.3 t -102.74 94.87 5.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.77 163.47 38.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.643 2.229 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.24 2.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -105.65 125.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.424 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -116.33 140.55 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -133.76 124.98 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.57 -175.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.88 -46.66 88.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.65 -59.36 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 59.3 m -64.27 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -56.53 18.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.2 -35.83 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.9 t -64.91 -26.42 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -99.09 -22.68 15.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 63.82 36.11 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -160.23 148.64 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -112.83 27.53 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 25.71 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.02 92.22 6.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 5.7 mm-40 -84.72 153.75 61.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.69 29.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.18 -18.31 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -116.89 85.52 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -116.76 107.54 14.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 139' ' ' TRP . 19.2 t -81.88 107.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 91.42 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.84 157.79 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.7 pt -58.79 -22.64 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.75 -4.13 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 p 53.92 37.63 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.62 115.99 19.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 115' ' ' VAL . 20.8 p -94.29 31.41 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.02 179.7 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.49 77.77 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.564 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -59.86 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.61 -38.77 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.564 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.79 127.02 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.8 mtp -103.97 162.05 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.09 136.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -90.03 143.87 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.441 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -58.63 150.46 23.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -90.18 20.36 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -115.26 110.76 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -23.41 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 11.81 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.88 -61.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 52.66 62.41 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.9 m -124.59 124.6 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.448 ' HB2' HG22 ' A' ' 115' ' ' VAL . 18.8 m95 -87.42 145.68 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -145.89 154.46 41.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.4 m170 -71.51 113.86 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.5 -41.73 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.76 -31.36 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.13 -34.02 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 141' ' ' HIS . 14.9 m -99.5 13.76 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 157' ' ' VAL . 6.4 mt -100.29 132.1 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.62 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.2 mm -123.78 90.48 50.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 54.3 Cg_endo -69.7 147.39 63.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -14.13 60.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 151' ' ' PRO . 18.8 ptmt -168.3 154.42 6.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 150' ' ' LYS . 54.0 Cg_endo -69.75 116.76 4.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 114.12 -23.94 12.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.66 179.84 7.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.9 m -84.93 115.45 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.726 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -52.86 165.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -90.7 102.56 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 146' ' ' LEU . 47.4 t -103.45 94.11 5.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.4 Cg_endo -69.7 164.85 32.95 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.648 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.6 p -106.69 126.02 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -117.52 141.97 47.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -134.04 125.26 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.59 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.6 -46.94 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.38 -59.56 4.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.25 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.85 -54.44 38.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.34 -42.95 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -24.53 67.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.73 -27.48 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.24 -22.62 52.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 t -173.07 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -54.02 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.13 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.63 92.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -74.65 153.97 87.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -20.28 34.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.58 -23.04 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.2 81.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -116.87 108.5 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 122' ' ' THR . 17.2 t -82.28 106.96 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.84 91.37 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.92 157.89 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.0 pt -59.05 -22.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.63 -3.05 57.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p 53.37 38.05 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 115.49 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 115' ' ' VAL . 26.3 p -94.36 31.88 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.48 179.29 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -91.43 77.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.5 p-10 -60.14 -169.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.7 -39.35 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.587 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -164.76 126.18 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 26.8 mtp -103.2 160.69 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.15 138.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -91.73 145.62 24.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.91 152.86 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.06 16.85 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.3 117.23 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -22.32 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -87.23 8.59 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 -58.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 51.41 51.93 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.4 m -114.57 125.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -89.79 146.12 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -145.76 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.0 m170 -75.18 114.91 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.9 -42.08 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.85 -29.98 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.2 m -78.38 -35.2 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 161' ' ' PHE . 17.3 m -97.16 11.76 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.9 mt -97.16 114.45 26.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.548 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.5 mm -119.11 110.71 37.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.63 51.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -51.84 -29.83 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -137.49 161.03 62.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.85 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.295 . . . . 0.0 112.358 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.71 62.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -172.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.62 123.19 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.09 165.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.2 113.92 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.57 98.35 9.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.02 36.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.46 2.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.66 128.96 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.5 t80 -111.05 138.09 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.46 121.92 22.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.21 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.53 -47.0 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.26 -59.09 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.5 m -66.12 -26.29 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -49.74 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.15 -30.52 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 42.7 t -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -93.88 -23.27 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.77 32.02 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.3 p -95.58 51.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.34 -27.25 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 p -111.66 25.05 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.54 92.38 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 6.9 mm-40 -71.55 153.98 93.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -23.06 31.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -20.28 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -119.38 85.09 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -117.59 109.44 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 122' ' ' THR . 19.3 t -81.3 104.99 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.67 92.14 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.29 157.67 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 pt -59.07 -21.72 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.1 -2.88 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p 54.59 36.94 27.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 t -123.63 116.14 22.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 115' ' ' VAL . 58.3 p -93.99 31.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 mtp -88.36 -179.56 6.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.8 87.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.638 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.8 p-10 -69.46 -169.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -38.41 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.638 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.79 125.61 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.83 160.68 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.5 tt -150.04 132.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.99 138.75 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.431 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.7 t -53.14 150.46 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.638 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -89.57 19.8 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -117.4 111.48 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.84 -22.62 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -88.86 10.13 22.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.75 -59.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.07 59.7 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -122.75 122.89 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -86.05 138.94 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.0 165.2 25.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.1 m170 -83.64 113.98 21.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.86 -41.35 70.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.01 -24.84 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.97 -32.12 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 141' ' ' HIS . 13.1 m -101.93 14.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.896 HD22 ' HB1' ' A' ' 155' ' ' ALA . 3.2 mt -95.45 118.47 32.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.588 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -121.0 108.01 37.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.09 56.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -51.63 -33.56 33.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.7 160.87 57.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 115.98 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.76 54.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -75.68 -169.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.54 123.75 33.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.896 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.21 165.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.91 113.87 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 146' ' ' LEU . 43.6 t -102.25 96.63 7.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.6 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.375 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -44.33 2.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.616 2.21 . . . . 0.0 112.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.7 p -105.16 127.87 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -120.14 140.48 51.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.72 124.47 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.4 p -57.63 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.13 -46.73 87.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.09 -59.14 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.67 -36.92 85.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -56.69 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.05 -34.16 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 t -65.59 -26.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -100.6 -22.1 15.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 59.3 28.13 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.18 132.79 35.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -128.68 -46.04 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 p -166.43 47.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.36 90.82 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -61.77 153.42 71.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.66 28.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -108.23 -28.8 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.82 83.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -112.81 107.76 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 122' ' ' THR . 20.9 t -80.99 108.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 91.67 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.88 156.58 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -59.39 -21.26 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -84.0 -4.13 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.6 p 52.8 39.23 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -125.93 115.12 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.491 ' HA ' HG11 ' A' ' 115' ' ' VAL . 30.3 p -94.54 31.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.22 179.93 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.1 88.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.0 p-10 -70.06 -168.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -38.72 86.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.595 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.15 126.52 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 17.2 mtp -101.47 162.63 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.16 137.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -89.94 146.41 24.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.18 151.97 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.09 17.44 5.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -115.65 113.01 22.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -23.84 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.31 8.05 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -59.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.57 50.22 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.88 126.64 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -91.09 144.51 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -143.09 162.8 34.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.484 ' O ' HG22 ' A' ' 145' ' ' VAL . 27.1 m170 -78.05 121.37 24.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 146' ' ' LEU . 9.7 mt -54.12 -42.63 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -63.94 -19.87 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.5 m -91.22 -31.63 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.6 m -101.6 12.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.585 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -86.69 116.25 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.98 131.22 23.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.64 60.83 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.69 -24.49 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -137.17 160.94 63.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.87 4.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.776 2.317 . . . . 0.0 112.345 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 97.88 -19.24 55.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -169.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.64 165.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 146' ' ' LEU . 24.0 tt0 -144.62 145.05 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.585 HG23 HD21 ' A' ' 146' ' ' LEU . 95.7 t -106.04 94.29 9.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.5 Cg_endo -69.79 158.87 55.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.2 p -97.48 119.67 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.2 t80 -117.13 139.34 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -133.86 121.77 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -56.99 -177.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.78 -46.87 87.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.34 -59.12 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.7 -39.34 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -41.95 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 172' ' ' ASP . 5.6 mt -77.71 -37.03 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -71.9 -15.15 62.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -33.98 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -114.89 -58.56 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.681 ' HA ' HD23 ' A' ' 168' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 108' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 t 72.13 -69.26 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -107.42 30.38 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 105' ' ' GLY . 13.3 p -152.29 46.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -80.24 90.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -62.08 153.47 73.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -27.93 25.75 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.731 2.288 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -20.65 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.25 84.85 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -118.0 109.5 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.63 105.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.43 91.86 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.49 157.69 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.9 pt -58.94 -21.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.56 -4.07 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.8 p 54.38 37.55 27.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.5 t -125.96 112.82 16.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.6 p -76.93 -4.52 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.2 mtp -54.87 134.48 48.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.9 t -65.37 89.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 127' ' ' SER . 7.3 p-10 -60.59 -168.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -56.47 -37.06 69.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.432 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.2 OUTLIER -163.6 128.09 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.1 mtt -102.27 167.01 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.39 128.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.56 139.7 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.4 t -55.41 151.6 9.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.645 ' HG3' HG23 ' A' ' 160' ' ' VAL . 1.3 mm-40 -89.11 18.9 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -116.28 111.52 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -58.95 -22.35 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -89.44 10.4 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.12 -60.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 52.33 57.42 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.51 123.31 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -86.06 147.27 26.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -143.5 165.22 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -80.55 116.48 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 146' ' ' LEU . 6.7 mt -54.64 -45.39 73.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.66 -22.43 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 56.3 m -88.54 -32.17 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.535 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.45 13.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER -95.3 101.04 12.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.432 HD13 ' C ' ' A' ' 146' ' ' LEU . 2.3 mm -111.8 120.88 41.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.676 0.751 . . . . 0.0 111.099 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 148.69 65.22 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.92 -29.52 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.9 160.81 64.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.24 4.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.55 -17.36 59.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -173.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 p -83.7 123.91 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.92 165.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.02 125.74 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.53 94.14 8.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.577 0.703 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.6 Cg_endo -69.78 159.93 51.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.54 2.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.8 p -97.48 124.04 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.535 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.2 t80 -126.14 142.19 51.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -134.12 124.01 25.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.3 p -57.45 -175.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.49 -47.12 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.7 mt -51.35 -57.82 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 60.3 m -67.2 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -52.47 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.3 mt -72.37 -35.15 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 11.6 t -69.67 -27.75 65.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -95.54 -23.49 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.76 27.44 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.5 p -169.7 39.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -26.66 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.1 25.54 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -94.66 92.19 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 5.9 mm-40 -85.34 153.68 59.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.38 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.52 -18.19 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -119.37 84.82 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -113.69 106.72 14.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' O ' HG22 ' A' ' 122' ' ' THR . 17.5 t -81.89 107.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.16 91.59 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.23 157.85 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 pt -58.95 -22.85 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.25 -2.91 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p 53.18 38.44 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.84 115.45 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' VAL . 25.1 p -94.55 31.97 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -86.58 179.84 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.73 77.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.1 p-10 -60.08 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.85 -39.82 69.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.561 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.87 126.39 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.5 mtp -103.74 160.62 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.19 138.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -90.71 146.08 24.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 138' ' ' VAL . 43.6 t -58.45 152.68 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.675 ' CD ' HG12 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -89.14 17.52 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -118.17 116.77 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -22.54 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -86.82 8.19 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 -58.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 51.62 54.67 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 131' ' ' CYS . 9.4 m -117.81 126.53 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -90.28 145.3 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -144.76 158.84 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.2 m170 -75.49 114.66 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.1 -41.26 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.68 -30.05 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 141' ' ' HIS . 35.0 m -78.49 -34.0 47.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 161' ' ' PHE . 16.3 m -98.3 11.5 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 155' ' ' ALA . 3.0 mt -96.88 115.62 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -119.62 109.85 37.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 111.08 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.53 57.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.645 2.23 . . . . 0.0 112.398 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -33.2 30.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.73 160.93 56.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.92 4.32 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 101.36 -17.44 55.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -76.04 -169.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.16 124.9 34.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -50.75 165.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -115.06 113.39 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 146' ' ' LEU . 43.2 t -101.55 98.43 9.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.96 36.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.675 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.4 m -111.17 128.52 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.48 ' CE1' HG11 ' A' ' 145' ' ' VAL . 17.2 t80 -110.96 138.45 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -133.45 122.52 23.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.5 p -57.64 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.89 -46.87 87.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.94 -59.23 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.7 -30.54 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 0.4 OUTLIER -59.47 -52.98 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.74 -22.64 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 21.0 t -79.89 -19.22 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -111.11 -24.75 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -110.02 -44.43 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m 52.78 70.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.12 10.53 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.18 60.76 2.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -114.5 91.47 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.74 153.91 89.31 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.09 31.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -19.62 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.21 84.24 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -116.88 108.76 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 122' ' ' THR . 19.6 t -81.37 105.07 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.94 92.17 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 t -107.57 157.52 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 pt -58.9 -21.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.01 -3.68 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 p 55.64 35.95 26.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.77 115.97 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 115' ' ' VAL . 32.1 p -94.03 31.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -179.85 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.48 86.9 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.636 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.7 p-10 -68.83 -169.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.79 -38.51 78.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.636 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.6 t -163.8 125.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.52 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.25 134.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.63 140.06 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.445 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.8 t -54.68 151.16 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.64 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.85 19.64 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -117.08 111.39 19.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -22.71 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.15 10.05 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.1 t -127.06 -59.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 52.64 57.36 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.5 m -120.26 123.33 70.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -86.98 139.24 30.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -135.18 165.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 145' ' ' VAL . 45.4 m170 -83.26 114.24 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.73 -42.35 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.59 -22.15 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 58.3 m -87.97 -32.25 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.9 m -101.9 14.07 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.891 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.7 mt -94.87 115.75 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.584 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -121.02 111.32 34.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.693 0.759 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 149.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -53.7 -27.7 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.36 160.86 63.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.89 4.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.26 10.99 70.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.09 -172.78 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.355 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.15 117.55 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.891 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.65 165.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 7.1 tt0 -118.74 115.76 25.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 146' ' ' LEU . 41.3 t -102.76 95.56 6.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.3 Cg_endo -69.77 161.29 46.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.307 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.46 2.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.64 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.1 p -105.02 125.83 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 145' ' ' VAL . 19.5 t80 -118.8 140.89 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.91 125.86 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.81 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.14 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.34 -59.56 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 67.6 m -63.56 -37.92 89.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.7 -55.07 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.3 -42.61 88.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -24.49 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -93.56 -28.03 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.38 26.06 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -154.58 96.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.15 -30.89 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -26.45 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.75 92.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 6.9 mm-40 -61.27 154.16 64.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.542 0.686 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.4 32.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.41 -20.33 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -119.61 89.53 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -120.97 111.57 17.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 122' ' ' THR . 24.8 t -81.58 109.67 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -132.17 91.48 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.4 t -111.23 156.75 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.1 pt -59.09 -22.35 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -82.34 -4.93 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 p 53.28 38.43 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.96 116.16 21.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.496 ' HA ' HG11 ' A' ' 115' ' ' VAL . 24.9 p -93.47 29.68 1.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ptm -79.89 179.86 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.04 80.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.457 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.4 p-10 -61.34 -166.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.98 -39.41 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.457 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -165.4 132.16 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.73 166.48 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.1 tt -150.28 132.06 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.79 141.15 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 44.9 t -54.61 152.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.688 ' CD ' HG12 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -89.12 17.27 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -117.02 116.73 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.56 -22.66 66.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -87.65 8.85 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -59.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.02 56.24 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.4 m -118.79 124.19 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -86.99 147.91 25.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -146.7 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -72.78 115.27 11.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.56 -40.42 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -63.9 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 29.4 m -76.15 -35.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.634 HG11 ' CE1' ' A' ' 161' ' ' PHE . 27.1 m -94.69 8.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.874 HD22 ' HB1' ' A' ' 155' ' ' ALA . 4.0 mt -97.22 120.4 37.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.591 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -120.96 105.07 40.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.8 Cg_endo -69.77 139.0 39.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -51.72 -31.08 24.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -138.27 160.81 62.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 115.91 4.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.311 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.93 -20.95 48.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -177.78 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.4 m -80.69 120.61 24.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.874 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.63 164.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 1.3 tm-20 -111.3 112.61 24.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 146' ' ' LEU . 43.7 t -100.5 99.93 11.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.28 35.19 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.688 HG12 ' CD ' ' A' ' 132' ' ' GLU . 2.3 m -112.49 133.4 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.634 ' CE1' HG11 ' A' ' 145' ' ' VAL . 12.1 t80 -117.49 139.46 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -133.27 122.94 24.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.8 p -58.16 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -63.5 -46.54 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.54 -59.01 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.97 -38.85 92.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -54.24 -52.98 59.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 172' ' ' ASP . 7.5 mt -66.74 -43.58 83.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -24.61 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.69 -26.85 16.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -178.11 -66.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.609 ' HA ' HD23 ' A' ' 168' ' ' LEU . 38.5 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.68 123.34 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -126.78 26.97 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.5 p -177.2 84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.28 89.77 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.74 153.39 42.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.691 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.61 37.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.0 -25.44 9.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.03 82.86 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -121.8 111.73 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 122' ' ' THR . 19.4 t -81.48 107.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.51 91.71 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.89 157.36 19.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.5 pt -59.2 -21.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -84.31 -3.19 58.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.82 38.94 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 117.12 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.43 ' HA ' HG11 ' A' ' 115' ' ' VAL . 27.3 p -94.39 31.39 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.1 ptp -82.91 -179.49 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -97.6 79.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.9 p-10 -60.12 -169.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -37.98 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.597 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -164.5 127.41 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 25.5 mtp -103.74 161.95 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.15 140.32 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.99 147.55 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.82 151.7 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.65 ' HG3' HG23 ' A' ' 160' ' ' VAL . 2.4 mm-40 -88.38 16.11 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -113.62 112.11 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -23.94 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -87.25 8.19 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.52 -59.1 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.76 48.72 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.75 127.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -91.79 144.1 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.02 164.89 28.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 145' ' ' VAL . 27.1 m170 -80.76 122.19 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 146' ' ' LEU . 10.1 mt -54.41 -42.47 70.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.32 -19.67 65.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 32.4 m -91.27 -31.16 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 161' ' ' PHE . 14.4 m -102.13 12.09 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -86.08 99.73 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.5 mm -116.7 130.9 24.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.26 44.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.18 -31.09 18.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 158.23 71.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.74 31.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.36 -17.8 54.49 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.94 -172.14 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.19 131.35 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.33 161.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 146' ' ' LEU . 41.7 tt0 -139.33 151.32 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.615 HG23 HD21 ' A' ' 146' ' ' LEU . 97.0 t -105.79 93.98 8.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 53.8 Cg_endo -69.78 159.7 52.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.36 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.65 HG23 ' HG3' ' A' ' 132' ' ' GLU . 4.0 p -98.83 120.69 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 145' ' ' VAL . 5.8 t80 -114.16 139.36 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -133.8 119.43 19.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.02 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.98 -47.29 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.19 -59.04 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.75 -26.0 68.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -50.67 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 12.7 mt -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -34.2 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -88.66 -22.69 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.41 64.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -149.8 67.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -100.29 28.95 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.57 24.52 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -94.87 92.24 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 5.7 mm-40 -84.2 153.67 62.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.54 29.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -116.38 -20.83 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -114.64 86.85 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -118.14 109.83 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.35 106.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.28 91.86 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.6 t -108.02 157.74 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.0 pt -59.09 -22.19 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.5 p -84.54 -2.64 57.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.9 p 53.77 37.97 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.7 t -124.33 116.04 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -93.95 31.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 mtp -87.62 -179.61 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.5 87.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.19 -169.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -38.76 80.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.791 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.632 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.5 t -164.08 125.81 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.67 159.85 14.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.0 tt -150.14 133.14 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -86.38 138.64 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.8 t -53.04 149.95 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.737 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -89.05 19.53 4.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -117.2 110.96 18.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -22.29 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -88.4 10.82 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 -59.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 51.88 61.28 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.8 m -124.53 124.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -86.02 139.34 31.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -136.03 165.15 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 145' ' ' VAL . 40.4 m170 -82.53 112.3 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -62.6 -28.93 70.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.01 -34.64 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.5 m -98.84 13.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.873 HD22 ' HB1' ' A' ' 155' ' ' ALA . 3.0 mt -96.6 116.75 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.571 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.06 109.33 37.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.77 55.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.39 -32.31 25.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -140.3 160.93 57.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.94 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.88 58.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -75.62 -171.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.55 123.79 32.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.873 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.01 165.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -115.46 114.19 24.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 146' ' ' LEU . 43.5 t -102.05 97.38 8.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.5 Cg_endo -69.78 162.56 41.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.737 HG23 ' CG ' ' A' ' 132' ' ' GLU . 4.5 p -107.18 128.04 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 145' ' ' VAL . 23.4 t80 -115.88 141.03 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -133.4 115.81 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . 0.534 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.7 p -48.55 160.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -50.67 -45.38 58.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.534 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.12 -48.41 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 90.5 m -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -35.03 79.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.23 -35.69 19.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 9.4 p -75.55 -19.63 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -111.77 -24.44 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.08 34.48 21.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 123.11 26.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.21 -42.95 4.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.6 p -109.5 84.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -108.1 89.78 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -60.69 153.36 63.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.76 37.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.25 -26.25 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -128.0 81.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -119.08 109.84 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.68 104.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 92.06 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -108.71 157.63 18.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 30.1 pt -59.07 -21.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.32 -1.5 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 p 52.48 38.83 26.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.45 110.78 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.5 p -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 40.3 mtm -57.61 -177.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 128' ' ' MET . 17.9 t -113.33 96.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -61.53 -166.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -32.25 70.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.7 126.22 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 124' ' ' VAL . 29.1 mtp -104.73 164.6 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.9 tt -150.27 135.98 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -90.07 145.84 24.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.9 151.73 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.625 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.8 OUTLIER -88.43 18.69 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -117.4 114.43 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -22.95 64.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -87.39 7.54 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 -59.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 51.63 52.09 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 29.4 m -114.26 126.06 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -90.71 141.84 28.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -138.33 165.36 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.694 ' O ' HG22 ' A' ' 145' ' ' VAL . 55.1 m170 -81.27 116.5 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.23 -30.78 66.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -75.97 -21.04 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.5 m -91.77 -25.95 18.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 141' ' ' HIS . 12.1 m -104.15 13.9 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.924 HD22 ' HB1' ' A' ' 155' ' ' ALA . 4.7 mt -97.71 128.39 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.2 mm -119.12 92.32 45.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.725 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.5 Cg_endo -69.83 141.71 45.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.12 -24.08 24.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 161.06 33.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.563 0.696 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.88 4.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.46 11.02 69.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.445 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.19 -176.0 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.84 107.95 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.924 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -56.14 159.68 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -101.62 105.17 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.768 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -102.07 97.51 8.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.0 39.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.54 2.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 132' ' ' GLU . 71.8 t -104.0 123.98 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -114.6 126.65 55.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -121.4 120.74 35.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.1 p -56.57 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.16 -47.08 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.22 -58.8 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 69.3 m -65.81 -26.84 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -50.03 61.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.69 -33.17 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.9 t -72.31 -32.92 66.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -89.89 -23.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 59.28 27.89 17.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -94.87 53.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -113.76 30.53 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -175.14 84.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.51 89.84 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.65 153.36 71.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.541 0.686 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -27.29 26.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.33 -24.19 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.76 82.94 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -115.53 107.96 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.66 105.22 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.13 91.99 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.69 157.55 18.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 14.4 pt -58.84 -22.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.0 p -84.67 -1.74 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 p 53.52 38.34 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.1 t -123.1 115.37 21.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.7 p -93.83 30.94 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -179.8 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 86.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 127' ' ' SER . 3.7 p-10 -68.07 -168.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -39.42 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.428 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -164.16 126.0 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 44.7 mtp -102.33 162.85 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.4 tt -150.4 133.18 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -87.96 142.42 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' A' ' 138' ' ' VAL . 48.6 t -56.13 151.15 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.648 ' HG3' HG13 ' A' ' 160' ' ' VAL . 1.3 mm-40 -88.89 19.8 3.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -119.19 112.36 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -22.57 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -87.41 8.4 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -59.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 51.22 60.73 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 131' ' ' CYS . 5.9 m -123.52 124.15 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -87.72 141.93 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -138.57 165.07 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 145' ' ' VAL . 59.1 m170 -82.13 113.47 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.49 -41.98 73.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -64.52 -22.46 66.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 65.1 m -87.69 -30.85 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 141' ' ' HIS . 11.5 m -103.03 13.84 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.928 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.4 mt -95.26 112.63 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.566 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.5 mm -120.42 112.77 34.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.47 69.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -27.83 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -136.55 161.22 63.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.88 4.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 86.71 11.36 71.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.51 -172.24 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.69 118.09 18.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.928 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.23 165.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 146' ' ' LEU . 33.7 tt0 -122.66 116.47 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.821 HG22 HD21 ' A' ' 146' ' ' LEU . 40.5 t -102.71 96.06 7.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.78 162.01 43.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.69 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.648 HG13 ' HG3' ' A' ' 132' ' ' GLU . 75.7 t -104.95 129.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 145' ' ' VAL . 13.4 t80 -121.02 126.57 50.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -120.81 121.93 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.14 -176.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -60.42 -46.84 88.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 17.5 mt -51.86 -58.4 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 78.1 m -66.43 -28.74 68.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -52.09 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.69 -34.18 69.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 11.2 t -70.89 -30.66 67.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -92.08 -23.2 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 60.53 26.15 15.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 m 61.1 82.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -56.2 5.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.45 25.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.45 92.35 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -72.72 154.17 91.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.66 35.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.38 -21.86 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.48 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -116.91 108.53 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 122' ' ' THR . 20.3 t -82.11 105.59 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -126.61 91.98 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.58 157.99 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 42.4 pt -59.27 -21.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.5 p -85.18 -3.07 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.8 p 54.73 36.73 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.32 115.59 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 115' ' ' VAL . 43.2 p -94.28 31.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.07 179.98 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.75 87.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 127' ' ' SER . 5.3 p-10 -69.19 -169.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -37.73 76.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.652 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 2.8 t -163.73 124.52 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.47 159.21 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.4 tt -150.25 137.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -92.62 147.22 23.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.3 151.99 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.635 ' HG3' HG13 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -89.16 18.36 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -116.83 113.52 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.21 -24.12 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -85.91 5.19 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -59.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 53.05 49.28 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.27 126.62 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -92.11 144.53 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -143.33 165.09 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.6 m170 -82.11 117.17 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.48 -42.73 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.75 -23.95 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 33.8 m -85.4 -32.58 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.484 HG11 ' HE1' ' A' ' 161' ' ' PHE . 14.6 m -101.06 13.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.739 HD21 ' HB ' ' A' ' 157' ' ' VAL . 4.4 mt -100.8 121.43 41.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.583 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.4 mm -120.64 106.55 39.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.156 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 147' ' ' ILE . 53.9 Cg_endo -69.74 139.97 41.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.49 -30.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 160.84 61.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.88 4.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.39 -18.44 57.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -172.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 m -85.06 119.63 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.607 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.76 160.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.79 104.27 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.739 ' HB ' HD21 ' A' ' 146' ' ' LEU . 4.2 p -98.75 102.97 16.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.82 36.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.56 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.635 HG13 ' HG3' ' A' ' 132' ' ' GLU . 70.2 t -102.78 124.08 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.484 ' HE1' HG11 ' A' ' 145' ' ' VAL . 10.8 t80 -114.87 127.04 55.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.06 119.44 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 11.5 p -55.36 -179.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.54 -47.49 81.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.56 -58.95 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 76.8 m -62.94 -39.23 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -50.95 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 172' ' ' ASP . 7.6 mt -67.04 -43.41 82.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -24.64 67.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -25.23 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -178.2 -67.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.626 ' HA ' HD23 ' A' ' 168' ' ' LEU . 8.7 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -144.71 79.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.93 -54.96 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.4 p -115.48 84.55 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -108.24 89.78 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.65 153.33 71.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -26.83 27.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.8 -22.19 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -118.79 88.17 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -119.99 109.94 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.29 105.94 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 92.08 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.8 t -108.73 156.93 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.7 pt -59.23 -21.05 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.0 p -85.72 -2.83 58.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p 53.91 37.63 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.65 115.4 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p -94.05 30.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -178.57 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.32 89.12 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -69.13 -164.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.93 -36.17 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 126.88 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.9 mtp -106.25 165.01 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.4 tt -150.2 136.03 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.446 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.9 t -53.58 150.85 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.638 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -89.76 19.66 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -117.15 111.05 18.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -22.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -89.34 10.29 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.2 t -127.2 -60.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 53.08 57.65 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 131' ' ' CYS . 7.8 m -121.08 122.65 68.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -86.15 139.88 30.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -134.06 165.65 24.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 145' ' ' VAL . 42.0 m170 -83.21 113.52 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.16 -34.45 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.3 -20.34 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 91.8 m -91.23 -27.56 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.8 m -104.52 13.49 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.907 HD22 ' HB1' ' A' ' 155' ' ' ALA . 2.9 mt -94.77 115.39 27.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.584 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -120.95 110.78 34.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 149.23 66.64 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -27.85 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.67 161.05 62.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.38 10.95 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -97.91 -172.64 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.49 117.08 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.907 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.63 165.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' O ' HD23 ' A' ' 146' ' ' LEU . 27.0 tt0 -118.18 115.68 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.827 HG22 HD21 ' A' ' 146' ' ' LEU . 42.2 t -102.97 95.29 6.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 53.7 Cg_endo -69.76 160.52 49.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.341 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.2 p -104.02 126.3 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -119.24 140.29 50.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -133.9 125.74 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.2 p -57.78 -175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.43 -46.84 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.25 -59.58 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 64.8 m -63.63 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.17 -55.46 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -23.75 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.813 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -29.26 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.21 -23.71 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -120.8 125.19 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.94 -52.48 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.91 24.59 14.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -96.28 92.31 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 4.7 mm-40 -60.79 153.7 62.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.11 27.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.55 -17.98 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -115.33 84.41 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -118.19 106.87 13.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 20.2 t -81.68 106.65 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.35 92.04 3.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 10.0 t -107.03 157.84 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.13 -21.96 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.3 p -85.12 -2.48 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p 54.07 37.55 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -124.59 115.55 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 115' ' ' VAL . 50.9 p -94.09 31.15 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.1 mtp -87.81 -179.92 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.53 86.42 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.3 p-10 -68.37 -169.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -39.02 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.626 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 1.7 t -164.02 125.21 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -100.6 159.84 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.21 134.45 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -86.62 146.47 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.427 ' HB2' HG23 ' A' ' 138' ' ' VAL . 46.5 t -63.54 150.33 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.659 ' HG3' HG13 ' A' ' 160' ' ' VAL . 3.8 mm-40 -90.68 22.43 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -115.43 110.72 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -23.54 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.32 16.16 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.41 -62.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 52.37 60.09 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.8 m -120.41 127.46 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -89.42 140.51 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.14 165.23 27.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 145' ' ' VAL . 47.0 m170 -81.76 113.64 19.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.49 -42.66 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.33 -28.06 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 46.5 m -80.98 -34.63 32.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 141' ' ' HIS . 15.7 m -98.68 14.01 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.825 HD21 HG22 ' A' ' 157' ' ' VAL . 6.3 mt -99.95 128.03 46.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.609 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -123.23 95.24 45.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 142.56 48.61 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -56.46 -24.21 44.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.84 156.99 27.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 113.33 -20.7 18.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.33 179.94 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m -84.23 117.7 23.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.788 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -51.29 165.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.87 106.94 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.825 HG22 HD21 ' A' ' 146' ' ' LEU . 46.8 t -103.48 95.14 6.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.45 42.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.69 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 132' ' ' GLU . 79.3 t -102.61 121.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -110.48 126.36 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -122.0 110.15 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 31.1 p -47.69 157.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -50.47 -44.31 55.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.64 -48.85 58.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.89 -50.23 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -41.9 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.63 -47.13 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -19.97 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.91 -26.14 13.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 63.96 26.77 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -149.54 112.59 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -103.34 -27.22 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.49 24.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -98.21 92.31 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -62.45 135.81 95.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.519 0.676 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -14.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -118.58 -6.64 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.43 80.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.01 113.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.79 102.58 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.12 92.17 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -111.29 157.0 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.71 -22.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.47 -2.81 56.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.3 p 52.78 39.06 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -121.37 116.07 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.9 p -93.51 31.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -179.77 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.17 89.19 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -67.55 -168.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -37.9 82.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -164.01 126.03 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.4 mtp -103.31 163.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.26 133.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.7 140.67 29.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 138' ' ' VAL . 49.5 t -55.33 150.67 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.631 ' HG3' HG23 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.02 19.48 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -117.78 112.1 19.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -87.81 8.57 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.58 -59.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 51.62 56.13 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 131' ' ' CYS . 6.7 m -119.35 123.73 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -87.66 139.92 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -135.97 165.2 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 145' ' ' VAL . 60.9 m170 -81.93 115.33 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -65.71 -20.12 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 69.0 m -91.02 -29.72 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 141' ' ' HIS . 10.2 m -104.36 13.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.847 HD21 HG22 ' A' ' 157' ' ' VAL . 2.0 mt -93.26 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 146' ' ' LEU . 1.3 mm -119.47 115.58 33.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.656 0.741 . . . . 0.0 111.159 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.11 69.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -52.76 -29.11 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.63 160.58 64.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 116.12 4.42 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 98.62 -18.71 56.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.76 -173.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.8 124.18 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.666 ' HB1' HD22 ' A' ' 146' ' ' LEU . . . -50.8 164.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.503 ' O ' HD23 ' A' ' 146' ' ' LEU . 0.6 OUTLIER -125.79 124.14 40.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.847 HG22 HD21 ' A' ' 146' ' ' LEU . 42.5 t -101.0 98.61 8.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 54.2 Cg_endo -69.71 161.22 46.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.384 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.631 HG23 ' HG3' ' A' ' 132' ' ' GLU . 2.8 p -106.57 128.03 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -120.43 140.37 51.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -133.61 125.49 28.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 13.9 p -58.04 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.47 -46.66 87.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.25 -59.18 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 79.8 m -63.88 -38.83 92.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -53.1 -56.29 17.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' ' 172' ' ' ASP . 7.1 mt -65.67 -42.39 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -23.81 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -28.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -174.73 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.652 ' HA ' HD23 ' A' ' 168' ' ' LEU . 8.0 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.71 -175.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -111.5 34.96 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -26.4 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.87 92.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.61 136.17 63.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.57 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.55 -9.93 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.45 80.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 112.69 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.7 t -81.41 108.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 91.27 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 13.8 t -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.3 pt -58.95 -21.98 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.34 -3.8 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 p 52.8 39.13 28.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -126.27 115.46 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.457 ' HA ' HG11 ' A' ' 115' ' ' VAL . 29.4 p -94.25 30.98 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -179.08 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.93 88.51 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.604 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.1 p-10 -69.66 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.87 -39.0 80.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.604 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -163.75 126.81 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 mtp -103.28 156.29 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.3 tt -141.99 137.36 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.77 148.43 23.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.69 152.21 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.651 ' CG ' HG23 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -89.67 19.23 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -115.08 116.06 27.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -25.3 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -87.65 7.25 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.25 -61.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 54.0 41.72 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.44 128.35 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.27 147.52 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -146.8 157.04 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -72.89 121.42 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 146' ' ' LEU . 7.3 mt -55.6 -46.09 77.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.21 -20.27 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 43.8 m -90.96 -32.32 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 161' ' ' PHE . 32.8 m -100.56 13.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.561 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER -94.62 100.68 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 146' ' ' LEU . 2.3 mm -111.5 121.79 39.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.653 0.74 . . . . 0.0 111.147 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.51 62.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -51.83 -29.29 18.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -135.73 160.67 66.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.711 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.28 -17.95 53.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -172.93 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 124.5 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.85 165.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.46 127.48 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.5 p -105.75 93.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.732 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 157' ' ' VAL . 54.0 Cg_endo -69.74 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.651 HG23 ' CG ' ' A' ' 132' ' ' GLU . 3.8 p -99.27 124.36 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 145' ' ' VAL . 11.4 t80 -123.27 140.13 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -134.21 125.11 27.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . . . . . . . . . 12.6 p -57.47 -175.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.83 -46.3 82.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 18.3 mt -50.72 -58.75 5.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 43.0 m -63.06 -38.63 91.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.08 -43.32 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 172' ' ' ASP . 1.7 mt -70.09 -47.11 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -18.06 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -88.43 -39.23 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -179.05 55.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.637 ' HA ' HD23 ' A' ' 168' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -137.76 97.48 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.28 32.7 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.0 p -171.73 84.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -108.35 89.85 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 10.5 mm100 -61.76 153.34 72.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.23 24.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.381 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -17.75 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . . . -121.26 86.6 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 109.55 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 122' ' ' THR . 21.3 t -81.5 108.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 91.76 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.1 t -106.6 158.12 17.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.1 pt -58.88 -22.25 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.15 -3.71 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p 54.75 36.58 26.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 115.84 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.407 ' HA ' HG11 ' A' ' 115' ' ' VAL . 37.7 p -94.04 31.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.5 mtp -87.52 -179.96 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.15 87.96 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 127' ' ' SER . 4.6 p-10 -69.42 -169.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -38.92 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.634 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 0.4 OUTLIER -164.15 126.34 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.08 158.76 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 11.5 tt -150.08 137.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -88.12 151.73 22.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.55 151.07 47.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.674 ' HG3' HG23 ' A' ' 160' ' ' VAL . 17.3 mm-40 -89.37 19.72 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -115.9 110.81 19.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -21.86 56.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.07 11.45 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -61.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 53.93 53.04 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.54 132.42 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -95.41 138.03 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -136.57 165.29 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 145' ' ' VAL . 31.9 m170 -80.4 117.99 21.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 146' ' ' LEU . 8.8 mt -54.8 -45.13 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -60.75 -22.7 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.84 -33.71 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 161' ' ' PHE . 15.7 m -99.51 13.33 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 142' ' ' LEU . 0.2 OUTLIER -95.61 99.23 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.416 HD13 ' C ' ' A' ' 146' ' ' LEU . 2.4 mm -110.74 119.76 45.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.79 63.67 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.626 2.217 . . . . 0.0 112.373 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -29.51 20.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -137.0 160.74 64.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 94.9 -18.9 56.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 -173.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.16 123.62 30.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.18 163.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.14 123.85 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 157' ' ' VAL . 3.6 p -106.5 93.14 7.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 160.4 49.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.674 HG23 ' HG3' ' A' ' 132' ' ' GLU . 3.6 p -94.26 115.32 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.518 ' CE1' HG11 ' A' ' 145' ' ' VAL . 16.6 t80 -108.27 136.47 47.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.34 109.02 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 165' ' ' LEU . 31.1 p -47.76 157.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.4 -42.2 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 163' ' ' CYS . 0.6 OUTLIER -50.98 -50.05 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . . . . . . . . . 89.7 m -73.12 -49.3 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -42.38 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.16 -46.96 39.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 m -61.83 -19.26 62.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.67 -27.32 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -99.16 23.94 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_